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261766-23-8 | 1H-Indole-3-acetamide, N-[4-(acetylamino)phenyl]-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-
CAS No: 261766-23-8 Catalog No: AG002S31 MDL No:MFCD02683236
Product Description
Catalog Number:
AG002S31
Chemical Name:
1H-Indole-3-acetamide, N-[4-(acetylamino)phenyl]-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-
CAS Number:
261766-23-8
Molecular Formula:
C27H24ClN3O4
Molecular Weight:
489.9502
MDL Number:
MFCD02683236
IUPAC Name:
N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
InChI:
InChI=1S/C27H24ClN3O4/c1-16-23(15-26(33)30-21-10-8-20(9-11-21)29-17(2)32)24-14-22(35-3)12-13-25(24)31(16)27(34)18-4-6-19(28)7-5-18/h4-14H,15H2,1-3H3,(H,29,32)(H,30,33)
InChI Key:
CVMUUPNNEPVQCL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CC(=O)Nc1ccc(cc1)NC(=O)C)c(n2C(=O)c1ccc(cc1)Cl)C
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.146g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
489.956g/mol
Monoisotopic Mass:
489.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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