Mrv1572004221603462D          

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M  END
> <DATABASE_ID>
CHEM014671

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C(=C1)N1N=C2C=CC=CC2=N1)C(C)(C)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3

> <INCHI_KEY>
OLFNXLXEGXRUOI-UHFFFAOYSA-N

> <FORMULA>
C30H29N3O

> <MOLECULAR_WEIGHT>
447.582

> <EXACT_MASS>
447.231062566

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
51.83022844324314

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2H-1,2,3-benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol

> <ALOGPS_LOGP>
7.48

> <JCHEM_LOGP>
8.407800000000002

> <ALOGPS_LOGS>
-6.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.832912690300125

> <JCHEM_PKA_STRONGEST_BASIC>
-0.38325525053779896

> <JCHEM_POLAR_SURFACE_AREA>
50.94

> <JCHEM_REFRACTIVITY>
169.86530000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.93e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(1,2,3-benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-

> <CAS>
70321-86-7

> <SYNONYMS>
2-(2H-1,2,3-benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol; 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol; 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol

$$$$