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332909-90-7 | N,N-Diphenyl-2-(4-phenyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS No: 332909-90-7 Catalog No: AG01F3SF MDL No:
Product Description
Catalog Number:
AG01F3SF
Chemical Name:
N,N-Diphenyl-2-(4-phenyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS Number:
332909-90-7
Molecular Formula:
C27H21N5OS
Molecular Weight:
463.5535
IUPAC Name:
N,N-diphenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C27H21N5OS/c33-25(31(22-12-4-1-5-13-22)23-14-6-2-7-15-23)20-34-27-30-29-26(21-11-10-18-28-19-21)32(27)24-16-8-3-9-17-24/h1-19H,20H2
InChI Key:
ZJOIYEOWSVZQIF-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1)c1ccccc1)CSc1nnc(n1c1ccccc1)c1cccnc1
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.147g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.559g/mol
Monoisotopic Mass:
463.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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