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89649-62-7 | 1H-Pyrrole-2-carboxamide, 5-ethyl-N,N-dimethyl-3,4-diphenyl-
CAS No: 89649-62-7 Catalog No: AG003VGP MDL No:
Product Description
Catalog Number:
AG003VGP
Chemical Name:
1H-Pyrrole-2-carboxamide, 5-ethyl-N,N-dimethyl-3,4-diphenyl-
CAS Number:
89649-62-7
Molecular Formula:
C21H22N2O
Molecular Weight:
318.4122
IUPAC Name:
5-ethyl-N,N-dimethyl-3,4-diphenyl-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C21H22N2O/c1-4-17-18(15-11-7-5-8-12-15)19(16-13-9-6-10-14-16)20(22-17)21(24)23(2)3/h5-14,22H,4H2,1-3H3
InChI Key:
UJVFMFCDAIARDM-UHFFFAOYSA-N
SMILES:
CCc1[nH]c(c(c1c1ccccc1)c1ccccc1)C(=O)N(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.42g/mol
Monoisotopic Mass:
318.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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