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24826-53-7 | 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-chloro-1-(2-methylbenzoyl)-5-phenyl-
CAS No: 24826-53-7 Catalog No: AG002PL4 MDL No:
Product Description
Catalog Number:
AG002PL4
Chemical Name:
1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-chloro-1-(2-methylbenzoyl)-5-phenyl-
CAS Number:
24826-53-7
Molecular Formula:
C23H17ClN2O3
Molecular Weight:
404.8457
IUPAC Name:
7-chloro-1-(2-methylbenzoyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
InChI:
InChI=1S/C23H17ClN2O3/c1-15-7-5-6-10-18(15)23(29)26-19-12-11-16(24)13-20(19)25(21(27)14-22(26)28)17-8-3-2-4-9-17/h2-13H,14H2,1H3
InChI Key:
WEFPYRFMODVBQJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)N(C(=O)CC(=O)N2C(=O)c1ccccc1C)c1ccccc1
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.093g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.85g/mol
Monoisotopic Mass:
404.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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