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1129433-63-1 | N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl-d4]-[1,1'-biphenyl]-2-carboxamide
CAS No: 1129433-63-1 Catalog No: AG01EQDO MDL No:
Product Description
Catalog Number:
AG01EQDO
Chemical Name:
N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl-d4]-[1,1'-biphenyl]-2-carboxamide
CAS Number:
1129433-63-1
Molecular Formula:
C32H22D4N4O2
Molecular Weight:
502.5991
IUPAC Name:
2-phenyl-N-[2,3,5,6-tetradeuterio-4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]benzamide
InChI:
InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)/i15D,16D,17D,18D
InChI Key:
IKENVDNFQMCRTR-OCOLLXALSA-N
SMILES:
Cc1[nH]c2c(n1)CCN(c1c2cccc1)C(=O)c1c([2H])c([2H])c(c(c1[2H])[2H])NC(=O)c1ccccc1c1ccccc1
Properties
Complexity:
820
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.231g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
502.61g/mol
Monoisotopic Mass:
502.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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