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74101-25-0 | Benzamide,N-[3-phenyl-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl]-
CAS No: 74101-25-0 Catalog No: AG005HKD MDL No:
Product Description
Catalog Number:
AG005HKD
Chemical Name:
Benzamide,N-[3-phenyl-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl]-
CAS Number:
74101-25-0
Molecular Formula:
C25H18N4OS
Molecular Weight:
422.5016
IUPAC Name:
N-[5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
InChI:
InChI=1S/C25H18N4OS/c30-24(20-14-8-3-9-15-20)27-23-16-21(18-10-4-1-5-11-18)28-29(23)25-26-22(17-31-25)19-12-6-2-7-13-19/h1-17H,(H,27,30)
InChI Key:
PKVYTRCQXPBNNN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cc(nn1c1scc(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.12g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.506g/mol
Monoisotopic Mass:
422.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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