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162931-17-1 | 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-3-methyl-
CAS No: 162931-17-1 Catalog No: AG001TJW MDL No:
Product Description
Catalog Number:
AG001TJW
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-3-methyl-
CAS Number:
162931-17-1
Molecular Formula:
C10H11ClN2O
Molecular Weight:
210.6601
IUPAC Name:
7-chloro-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C10H11ClN2O/c1-6-10(14)13-9-3-2-8(11)4-7(9)5-12-6/h2-4,6,12H,5H2,1H3,(H,13,14)
InChI Key:
XBMZSWXMCUEZSW-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccc(cc2CNC1C)Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.661g/mol
Monoisotopic Mass:
210.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV activity of 1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (TBO) derivatives. Truncated 4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2( 1H)-on es (TIBO) analogues. | Bioorganic & medicinal chemistry 19991101 |
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