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76195-77-2 | 1H-Indole,3-[4,5-dihydro-3-(4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-yl]-2-(4-methoxyphenyl)-
CAS No: 76195-77-2 Catalog No: AG0057MG MDL No:
Product Description
Catalog Number:
AG0057MG
Chemical Name:
1H-Indole,3-[4,5-dihydro-3-(4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-yl]-2-(4-methoxyphenyl)-
CAS Number:
76195-77-2
Molecular Formula:
C31H26N4O4
Molecular Weight:
518.5625
IUPAC Name:
2-(4-methoxyphenyl)-3-[5-(4-methoxyphenyl)-2-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1H-indole
InChI:
InChI=1S/C31H26N4O4/c1-38-24-14-10-20(11-15-24)28-19-29(34(33-28)22-6-5-7-23(18-22)35(36)37)30-26-8-3-4-9-27(26)32-31(30)21-12-16-25(39-2)17-13-21/h3-18,29,32H,19H2,1-2H3
InChI Key:
DEBXADNBHYMNQK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NN(C(C1)c1c([nH]c2c1cccc2)c1ccc(cc1)OC)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.195g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
518.573g/mol
Monoisotopic Mass:
518.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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