339812 <common-name>Ethyl 5-chloro-2-[3-(diethylamino)propyl]-3-phenylisoindole-1-carboxylate</common-name> <description>Ethyl 5-chloro-2-[3-(diethylamino)propyl]-3-phenylisoindole-1-carboxylate is a compound with the formula C24H29ClN2O2. It has an average molecular weight of 412.90 g/mol.</description> <cas nil="true"/> <pubchem-id>3045896</pubchem-id> <chemical-formula>C24H29ClN2O2</chemical-formula> <weight>412.9</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T23:12:23Z</created-at> <updated-at type="dateTime">2026-08-30T23:12:23Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCN(CC)CCCN1C(=C2C=C(C=CC2=C1C(=O)OCC)Cl)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C24H29ClN2O2</moldb-formula> <moldb-inchi>InChI=1S/C24H29ClN2O2/c1-4-26(5-2)15-10-16-27-22(18-11-8-7-9-12-18)21-17-19(25)13-14-20(21)23(27)24(28)29-6-3/h7-9,11-14,17H,4-6,10,15-16H2,1-3H3</moldb-inchi> <moldb-inchikey>GZXRKQGDDHDZPN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">412.1917559</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM335705</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Ethyl 5-chloro-2-[3-(diethylamino)propyl]-3-phenylisoindole-1-carboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyrroles</klass> <subklass>Substituted pyrroles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0290228</sync-id> <structure-inchikey>GZXRKQGDDHDZPN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000800000000000000050000400000000000080020000100000000042000000000000010000000004000000000000000000000000000000000000000000400000000000000800000020000000000100000000008000010000000000210080000000000400104008000000000d00001000000000000000000000000040000000800000000000004000800000000100000000020000000000000000000000000000040080084000000000000000000000000000000000000000000000000400000000080000000000000010000000002004000200000000001000000000000000000040000000010400000001000000040000000000000000</structure-fingerprint> 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