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24826-57-1 | 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 1-benzoyl-7-bromo-5-phenyl-
CAS No: 24826-57-1 Catalog No: AG002PL0 MDL No:
Product Description
Catalog Number:
AG002PL0
Chemical Name:
1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 1-benzoyl-7-bromo-5-phenyl-
CAS Number:
24826-57-1
Molecular Formula:
C22H15BrN2O3
Molecular Weight:
435.2701
IUPAC Name:
1-benzoyl-7-bromo-5-phenyl-1,5-benzodiazepine-2,4-dione
InChI:
InChI=1S/C22H15BrN2O3/c23-16-11-12-18-19(13-16)24(17-9-5-2-6-10-17)20(26)14-21(27)25(18)22(28)15-7-3-1-4-8-15/h1-13H,14H2
InChI Key:
GQFDPYJUUFYOFM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)N(c1ccccc1)C(=O)CC(=O)N2C(=O)c1ccccc1
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.027g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.277g/mol
Monoisotopic Mass:
434.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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