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145510-86-7 | 1H-Pyrrole-3-acetic acid, 2,5-dihydro-5-oxo-1,2-diphenyl-4-(phenylamino)-
CAS No: 145510-86-7 Catalog No: AG001D4Y MDL No:
Product Description
Catalog Number:
AG001D4Y
Chemical Name:
1H-Pyrrole-3-acetic acid, 2,5-dihydro-5-oxo-1,2-diphenyl-4-(phenylamino)-
CAS Number:
145510-86-7
Molecular Formula:
C24H20N2O3
Molecular Weight:
384.4272
IUPAC Name:
2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
InChI:
InChI=1S/C24H20N2O3/c27-21(28)16-20-22(25-18-12-6-2-7-13-18)24(29)26(19-14-8-3-9-15-19)23(20)17-10-4-1-5-11-17/h1-15,23,25H,16H2,(H,27,28)
InChI Key:
JNLADQBGUSGWRI-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=C(Nc2ccccc2)C(=O)N(C1c1ccccc1)c1ccccc1
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.147g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.435g/mol
Monoisotopic Mass:
384.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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