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332922-41-5 | 2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CAS No: 332922-41-5 Catalog No: AG01EVD6 MDL No:
Product Description
Catalog Number:
AG01EVD6
Chemical Name:
2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CAS Number:
332922-41-5
Molecular Formula:
C26H21N5OS2
Molecular Weight:
483.6078
IUPAC Name:
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
InChI:
InChI=1S/C26H21N5OS2/c32-24(28-25-27-22(17-33-25)20-12-6-2-7-13-20)18-34-26-30-29-23(16-19-10-4-1-5-11-19)31(26)21-14-8-3-9-15-21/h1-15,17H,16,18H2,(H,27,28,32)
InChI Key:
XUKNQUFXJMCDKO-UHFFFAOYSA-N
SMILES:
O=C(Nc1scc(n1)c1ccccc1)CSc1nnc(n1c1ccccc1)Cc1ccccc1
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.119g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
483.608g/mol
Monoisotopic Mass:
483.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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