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137973-76-3 | Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl-
CAS No: 137973-76-3 Catalog No: AG0017QX MDL No:MFCD19440797
Product Description
Catalog Number:
AG0017QX
Chemical Name:
Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl-
CAS Number:
137973-76-3
Molecular Formula:
C26H23ClN2O3
Molecular Weight:
446.9254
MDL Number:
MFCD19440797
IUPAC Name:
N-[4-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
InChI:
InChI=1S/C26H23ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,28,31)
InChI Key:
VENGMROMZOKURN-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.14g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.931g/mol
Monoisotopic Mass:
446.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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