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332161-02-1 | N-(4-Acetyl-phenyl)-2-(3-cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetamide
CAS No: 332161-02-1 Catalog No: AG01F4F6 MDL No:
Product Description
Catalog Number:
AG01F4F6
Chemical Name:
N-(4-Acetyl-phenyl)-2-(3-cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetamide
CAS Number:
332161-02-1
Molecular Formula:
C18H17N3O2S
Molecular Weight:
339.4115
IUPAC Name:
N-(4-acetylphenyl)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide
InChI:
InChI=1S/C18H17N3O2S/c1-11-8-12(2)20-18(16(11)9-19)24-10-17(23)21-15-6-4-14(5-7-15)13(3)22/h4-8H,10H2,1-3H3,(H,21,23)
InChI Key:
ZBXTYZRDOVSMKP-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(nc1SCC(=O)Nc1ccc(cc1)C(=O)C)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.104g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.413g/mol
Monoisotopic Mass:
339.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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