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Home > Pyridines > 132686-97-6
132686-97-6 | 5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, 6,11-DIHYDRO-6-METHYL-11-(PHENYLMETHYL)-
CAS No: 132686-97-6 Catalog No: AG001106 MDL No:
Product Description
Catalog Number:
AG001106
Chemical Name:
5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, 6,11-DIHYDRO-6-METHYL-11-(PHENYLMETHYL)-
CAS Number:
132686-97-6
Molecular Formula:
C20H17N3O
Molecular Weight:
315.3685
IUPAC Name:
11-benzyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
InChI:
InChI=1S/C20H17N3O/c1-22-17-11-5-6-12-18(17)23(14-15-8-3-2-4-9-15)19-16(20(22)24)10-7-13-21-19/h2-13H,14H2,1H3
InChI Key:
PGMDQXYPQSTTCJ-UHFFFAOYSA-N
SMILES:
O=c1c2cccnc2n(c2c(n1C)cccc2)Cc1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.376g/mol
Monoisotopic Mass:
315.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 1. Tricyclic pyridobenzo- and dipyridodiazepinones. | Journal of medicinal chemistry 19910701 |
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