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98602-08-5 | 6-(2-CHLOROPHENYL)-4-HYDROXY-4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE-3-CARBOXAMIDE
CAS No: 98602-08-5 Catalog No: AG006R6Q MDL No:
Product Description
Catalog Number:
AG006R6Q
Chemical Name:
6-(2-CHLOROPHENYL)-4-HYDROXY-4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE-3-CARBOXAMIDE
CAS Number:
98602-08-5
Molecular Formula:
C18H13ClN4O2
Molecular Weight:
352.7744
IUPAC Name:
6-(2-chlorophenyl)-4-hydroxy-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
InChI:
InChI=1S/C18H13ClN4O2/c19-12-7-3-1-5-10(12)14-11-6-2-4-8-13(11)23-9-21-15(17(20)24)16(23)18(25)22-14/h1-9,18,25H,(H2,20,24)
InChI Key:
OYGHBGPLFQTSAC-UHFFFAOYSA-N
SMILES:
OC1N=C(c2ccccc2Cl)c2c(n3c1c(nc3)C(=O)N)cccc2
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.073g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.778g/mol
Monoisotopic Mass:
352.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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