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89652-19-7 | Benzamide, N-[(4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)thioxomethyl]-
CAS No: 89652-19-7 Catalog No: AG00465W MDL No:
Product Description
Catalog Number:
AG00465W
Chemical Name:
Benzamide, N-[(4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)thioxomethyl]-
CAS Number:
89652-19-7
Molecular Formula:
C17H15N3OS
Molecular Weight:
309.3855
IUPAC Name:
N-(5-phenyl-3,4-dihydropyrazole-2-carbothioyl)benzamide
InChI:
InChI=1S/C17H15N3OS/c21-16(14-9-5-2-6-10-14)18-17(22)20-12-11-15(19-20)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,21,22)
InChI Key:
KNXXLRSRQTZMOK-UHFFFAOYSA-N
SMILES:
S=C(N1CCC(=N1)c1ccccc1)NC(=O)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.387g/mol
Monoisotopic Mass:
309.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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