Mrv0541 09121200472D          

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M  END
> <DATABASE_ID>
CHEM028163

> <DATABASE_NAME>
chemdb

> <SMILES>
Br.CN(C)CCOC1=C(C2=CC=CC=C2)C(=O)N2C=CN=CC2=N1

> <INCHI_IDENTIFIER>
InChI=1S/C17H18N4O2.BrH/c1-20(2)10-11-23-16-15(13-6-4-3-5-7-13)17(22)21-9-8-18-12-14(21)19-16;/h3-9,12H,10-11H2,1-2H3;1H

> <INCHI_KEY>
NADLOUKASJSMIH-UHFFFAOYSA-N

> <FORMULA>
C17H19BrN4O2

> <MOLECULAR_WEIGHT>
391.262

> <EXACT_MASS>
390.069138519

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
33.14405220479052

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[2-(dimethylamino)ethoxy]-3-phenyl-4H-pyrazino[1,2-a]pyrimidin-4-one hydrobromide

> <JCHEM_LOGP>
2.1628815253333347

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.720024046170213

> <JCHEM_POLAR_SURFACE_AREA>
57.5

> <JCHEM_REFRACTIVITY>
97.96600000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-(dimethylamino)ethoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one hydrobromide

> <JCHEM_VEBER_RULE>
0

> <NAME>
6-Galloylglucose

> <CAS>
34781-46-9

> <SYNONYMS>
Methyl 6-O-digalloyl-beta-D-glucopyranoside

$$$$