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76195-71-6 | 1H-Indole,3-[1-(2-chlorophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-(4-methoxyphenyl)-
CAS No: 76195-71-6 Catalog No: AG005EYV MDL No:
Product Description
Catalog Number:
AG005EYV
Chemical Name:
1H-Indole,3-[1-(2-chlorophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2-(4-methoxyphenyl)-
CAS Number:
76195-71-6
Molecular Formula:
C31H26ClN3O2
Molecular Weight:
508.0100
IUPAC Name:
3-[2-(2-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-(4-methoxyphenyl)-1H-indole
InChI:
InChI=1S/C31H26ClN3O2/c1-36-22-15-11-20(12-16-22)27-19-29(35(34-27)28-10-6-4-8-25(28)32)30-24-7-3-5-9-26(24)33-31(30)21-13-17-23(37-2)18-14-21/h3-18,29,33H,19H2,1-2H3
InChI Key:
VJVRFPCKIKJHHG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NN(C(C1)c1c([nH]c2c1cccc2)c1ccc(cc1)OC)c1ccccc1Cl
Properties
Complexity:
778
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.171g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
508.018g/mol
Monoisotopic Mass:
507.171g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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