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332376-40-6 | N-(2-Ethyl-6-methyl-phenyl)-2-(4-phenyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS No: 332376-40-6 Catalog No: AG01F2UE MDL No:
Product Description
Catalog Number:
AG01F2UE
Chemical Name:
N-(2-Ethyl-6-methyl-phenyl)-2-(4-phenyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS Number:
332376-40-6
Molecular Formula:
C24H23N5OS
Molecular Weight:
429.5373
IUPAC Name:
N-(2-ethyl-6-methylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C24H23N5OS/c1-3-18-9-7-8-17(2)22(18)26-21(30)16-31-24-28-27-23(19-12-14-25-15-13-19)29(24)20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3,(H,26,30)
InChI Key:
ORBWKCAHYLXCJY-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1NC(=O)CSc1nnc(n1c1ccccc1)c1ccncc1)C
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.162g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.542g/mol
Monoisotopic Mass:
429.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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