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828277-34-5 | Benzamide, N-(3,4-dibenzoyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-methoxy-
CAS No: 828277-34-5 Catalog No: AG004SO9 MDL No:
Product Description
Catalog Number:
AG004SO9
Chemical Name:
Benzamide, N-(3,4-dibenzoyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-methoxy-
CAS Number:
828277-34-5
Molecular Formula:
C28H24N2O4
Molecular Weight:
452.5012
IUPAC Name:
N-(3,4-dibenzoyl-2,5-dimethylpyrrol-1-yl)-4-methoxybenzamide
InChI:
InChI=1S/C28H24N2O4/c1-18-24(26(31)20-10-6-4-7-11-20)25(27(32)21-12-8-5-9-13-21)19(2)30(18)29-28(33)22-14-16-23(34-3)17-15-22/h4-17H,1-3H3,(H,29,33)
InChI Key:
SYMRKXQFOCOWPI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Nn1c(C)c(c(c1C)C(=O)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.174g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.51g/mol
Monoisotopic Mass:
452.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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