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332385-36-1 | N-(4-Acetyl-phenyl)-2-(4-phenyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS No: 332385-36-1 Catalog No: AG01F38V MDL No:
Product Description
Catalog Number:
AG01F38V
Chemical Name:
N-(4-Acetyl-phenyl)-2-(4-phenyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CAS Number:
332385-36-1
Molecular Formula:
C23H19N5O2S
Molecular Weight:
429.4943
IUPAC Name:
N-(4-acetylphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C23H19N5O2S/c1-16(29)17-9-11-19(12-10-17)25-21(30)15-31-23-27-26-22(18-6-5-13-24-14-18)28(23)20-7-3-2-4-8-20/h2-14H,15H2,1H3,(H,25,30)
InChI Key:
XXGGSKRLQYHNLW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc(n1c1ccccc1)c1cccnc1
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.126g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.498g/mol
Monoisotopic Mass:
429.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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