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24834-09-1 | 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-chloro-1-(4-nitrobenzoyl)-5-phenyl-
CAS No: 24834-09-1 Catalog No: AG002PM3 MDL No:
Product Description
Catalog Number:
AG002PM3
Chemical Name:
1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-chloro-1-(4-nitrobenzoyl)-5-phenyl-
CAS Number:
24834-09-1
Molecular Formula:
C22H14ClN3O5
Molecular Weight:
435.8167
IUPAC Name:
7-chloro-1-(4-nitrobenzoyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
InChI:
InChI=1S/C22H14ClN3O5/c23-15-8-11-18-19(12-15)24(16-4-2-1-3-5-16)20(27)13-21(28)25(18)22(29)14-6-9-17(10-7-14)26(30)31/h1-12H,13H2
InChI Key:
NLYLZICPZVEHCE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)N(C(=O)CC(=O)N2C(=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.062g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.82g/mol
Monoisotopic Mass:
435.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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