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74101-29-4 | Benzamide,N-[3-(4-chlorophenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl]-
CAS No: 74101-29-4 Catalog No: AG005HHM MDL No:
Product Description
Catalog Number:
AG005HHM
Chemical Name:
Benzamide,N-[3-(4-chlorophenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl]-
CAS Number:
74101-29-4
Molecular Formula:
C25H17ClN4OS
Molecular Weight:
456.9467
IUPAC Name:
N-[5-(4-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
InChI:
InChI=1S/C25H17ClN4OS/c26-20-13-11-18(12-14-20)21-15-23(28-24(31)19-9-5-2-6-10-19)30(29-21)25-27-22(16-32-25)17-7-3-1-4-8-17/h1-16H,(H,28,31)
InChI Key:
LTJMLVVPMGKBHC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc(n(n1)c1scc(n1)c1ccccc1)NC(=O)c1ccccc1
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.081g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
456.948g/mol
Monoisotopic Mass:
456.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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