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88838-80-6 | 1H-1,2,4-Triazole-3-carboxamide, 1,5-diphenyl-N-(trifluoroacetyl)-
CAS No: 88838-80-6 Catalog No: AG004C0W MDL No:
Product Description
Catalog Number:
AG004C0W
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 1,5-diphenyl-N-(trifluoroacetyl)-
CAS Number:
88838-80-6
Molecular Formula:
C17H11F3N4O2
Molecular Weight:
360.2900
IUPAC Name:
1,5-diphenyl-N-(2,2,2-trifluoroacetyl)-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C17H11F3N4O2/c18-17(19,20)16(26)22-15(25)13-21-14(11-7-3-1-4-8-11)24(23-13)12-9-5-2-6-10-12/h1-10H,(H,22,25,26)
InChI Key:
KVKMCZDDDHEQIW-UHFFFAOYSA-N
SMILES:
O=C(c1nc(n(n1)c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.296g/mol
Monoisotopic Mass:
360.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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