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100549-95-9 | 1H-Indole-1-acetic acid, 5-[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]carbonyl]-2,3-dihydro-2-oxo-3,3-diphenyl-
CAS No: 100549-95-9 Catalog No: AG0002B5 MDL No:
Product Description
Catalog Number:
AG0002B5
Chemical Name:
1H-Indole-1-acetic acid, 5-[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]carbonyl]-2,3-dihydro-2-oxo-3,3-diphenyl-
CAS Number:
100549-95-9
Molecular Formula:
C34H28N4O5
Molecular Weight:
572.6099
IUPAC Name:
2-[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-oxo-3,3-diphenylindol-1-yl]acetic acid
InChI:
InChI=1S/C34H28N4O5/c1-22-30(32(42)38(36(22)2)26-16-10-5-11-17-26)35-31(41)23-18-19-28-27(20-23)34(24-12-6-3-7-13-24,25-14-8-4-9-15-25)33(43)37(28)21-29(39)40/h3-20H,21H2,1-2H3,(H,35,41)(H,39,40)
InChI Key:
DKVQEGQLWLVCEJ-UHFFFAOYSA-N
SMILES:
OC(=O)CN1c2ccc(cc2C(C1=O)(c1ccccc1)c1ccccc1)C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
572.206g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
572.621g/mol
Monoisotopic Mass:
572.206g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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