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88838-91-9 | 1H-1,2,4-Triazole-3-carboxamide, 1-(3-methoxyphenyl)-5-phenyl-
CAS No: 88838-91-9 Catalog No: AG004A2Z MDL No:
Product Description
Catalog Number:
AG004A2Z
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 1-(3-methoxyphenyl)-5-phenyl-
CAS Number:
88838-91-9
Molecular Formula:
C16H14N4O2
Molecular Weight:
294.3080
IUPAC Name:
1-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C16H14N4O2/c1-22-13-9-5-8-12(10-13)20-16(11-6-3-2-4-7-11)18-15(19-20)14(17)21/h2-10H,1H3,(H2,17,21)
InChI Key:
MEXDKBIEHVUFPF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1nc(nc1c1ccccc1)C(=O)N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.314g/mol
Monoisotopic Mass:
294.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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