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113714-13-9 | Ethanone, 1-(4,5-dihydro-4-methyl-2,4-diphenyl-1H-1,5-benzodiazepin-1-yl)-
CAS No: 113714-13-9 Catalog No: AG0009FP MDL No:
Product Description
Catalog Number:
AG0009FP
Chemical Name:
Ethanone, 1-(4,5-dihydro-4-methyl-2,4-diphenyl-1H-1,5-benzodiazepin-1-yl)-
CAS Number:
113714-13-9
Molecular Formula:
C24H22N2O
Molecular Weight:
354.4443
IUPAC Name:
1-(2-methyl-2,4-diphenyl-1H-1,5-benzodiazepin-5-yl)ethanone
InChI:
InChI=1S/C24H22N2O/c1-18(27)26-22-16-10-9-15-21(22)25-24(2,20-13-7-4-8-14-20)17-23(26)19-11-5-3-6-12-19/h3-17,25H,1-2H3
InChI Key:
WMBFVMAOMVTATN-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(=CC(Nc2c1cccc2)(C)c1ccccc1)c1ccccc1
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.453g/mol
Monoisotopic Mass:
354.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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