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74101-31-8 | Benzamide,N-[3-(4-methylphenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl]-
CAS No: 74101-31-8 Catalog No: AG005TTG MDL No:
Product Description
Catalog Number:
AG005TTG
Chemical Name:
Benzamide,N-[3-(4-methylphenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl]-
CAS Number:
74101-31-8
Molecular Formula:
C26H20N4OS
Molecular Weight:
436.5282
IUPAC Name:
N-[5-(4-methylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
InChI:
InChI=1S/C26H20N4OS/c1-18-12-14-20(15-13-18)22-16-24(28-25(31)21-10-6-3-7-11-21)30(29-22)26-27-23(17-32-26)19-8-4-2-5-9-19/h2-17H,1H3,(H,28,31)
InChI Key:
XFCVRFVEIIYQFM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(n(n1)c1scc(n1)c1ccccc1)NC(=O)c1ccccc1
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.136g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.533g/mol
Monoisotopic Mass:
436.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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