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332161-08-7 | 2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(4-ethoxy-phenyl)-acetamide
CAS No: 332161-08-7 Catalog No: AG01EV64 MDL No:
Product Description
Catalog Number:
AG01EV64
Chemical Name:
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(4-ethoxy-phenyl)-acetamide
CAS Number:
332161-08-7
Molecular Formula:
C18H19N3O2S
Molecular Weight:
341.4274
IUPAC Name:
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
InChI:
InChI=1S/C18H19N3O2S/c1-4-23-15-7-5-14(6-8-15)21-17(22)11-24-18-16(10-19)12(2)9-13(3)20-18/h5-9H,4,11H2,1-3H3,(H,21,22)
InChI Key:
PYYUEIJEKKPJEV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)CSc1nc(C)cc(c1C#N)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.12g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.429g/mol
Monoisotopic Mass:
341.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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