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832735-66-7 | Piperazine, 1-(3-chlorophenyl)-4-[(2-phenyl-2H-indazol-3-yl)carbonyl]-
CAS No: 832735-66-7 Catalog No: AG0055XD MDL No:
Product Description
Catalog Number:
AG0055XD
Chemical Name:
Piperazine, 1-(3-chlorophenyl)-4-[(2-phenyl-2H-indazol-3-yl)carbonyl]-
CAS Number:
832735-66-7
Molecular Formula:
C24H21ClN4O
Molecular Weight:
416.9027
IUPAC Name:
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenylindazol-3-yl)methanone
InChI:
InChI=1S/C24H21ClN4O/c25-18-7-6-10-20(17-18)27-13-15-28(16-14-27)24(30)23-21-11-4-5-12-22(21)26-29(23)19-8-2-1-3-9-19/h1-12,17H,13-16H2
InChI Key:
AMEGCGBFQAQPPT-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N1CCN(CC1)C(=O)c1n(nc2c1cccc2)c1ccccc1
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.14g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.909g/mol
Monoisotopic Mass:
416.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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