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Home > Pyridines > 313380-16-4
313380-16-4 | 2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CAS No: 313380-16-4 Catalog No: AG01EUVD MDL No:
Product Description
Catalog Number:
AG01EUVD
Chemical Name:
2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CAS Number:
313380-16-4
Molecular Formula:
C17H17N3O2S
Molecular Weight:
327.4008
IUPAC Name:
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
InChI:
InChI=1S/C17H17N3O2S/c1-11-8-12(2)19-17(15(11)9-18)23-10-16(21)20-13-4-6-14(22-3)7-5-13/h4-8H,10H2,1-3H3,(H,20,21)
InChI Key:
RNXHXSXRUWCGGX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)CSc1nc(C)cc(c1C#N)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.402g/mol
Monoisotopic Mass:
327.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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