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885-70-1 | 5,11-Dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
CAS No: 885-70-1 Catalog No: AG004BX6 MDL No:MFCD00190169
Product Description
Catalog Number:
AG004BX6
Chemical Name:
5,11-Dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
CAS Number:
885-70-1
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
MDL Number:
MFCD00190169
IUPAC Name:
5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
InChI:
InChI=1S/C12H9N3O/c16-12-8-4-1-2-5-9(8)14-11-10(15-12)6-3-7-13-11/h1-7H,(H,13,14)(H,15,16)
InChI Key:
MIRBIZDDMSFTKY-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2cccnc2[nH]c2c1cccc2
EC Number:
212-944-2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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