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88048-46-8 | Benzamide, N-[2-(2,2-di-1H-indol-3-ylethyl)phenyl]-2-methoxy-
CAS No: 88048-46-8 Catalog No: AG004IX8 MDL No:
Product Description
Catalog Number:
AG004IX8
Chemical Name:
Benzamide, N-[2-(2,2-di-1H-indol-3-ylethyl)phenyl]-2-methoxy-
CAS Number:
88048-46-8
Molecular Formula:
C32H27N3O2
Molecular Weight:
485.5757
IUPAC Name:
N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-2-methoxybenzamide
InChI:
InChI=1S/C32H27N3O2/c1-37-31-17-9-5-13-24(31)32(36)35-28-14-6-2-10-21(28)18-25(26-19-33-29-15-7-3-11-22(26)29)27-20-34-30-16-8-4-12-23(27)30/h2-17,19-20,25,33-34H,18H2,1H3,(H,35,36)
InChI Key:
FWFRJINCPYCAKZ-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)Nc1ccccc1CC(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.21g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
485.587g/mol
Monoisotopic Mass:
485.21g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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