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Home > Pyridines > 478045-72-6
478045-72-6 | N-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]phenyl}-3-methoxybenzamide
CAS No: 478045-72-6 Catalog No: AG00IU2C MDL No:MFCD02186649
Product Description
Catalog Number:
AG00IU2C
Chemical Name:
N-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]phenyl}-3-methoxybenzamide
CAS Number:
478045-72-6
Molecular Formula:
C22H19N3O2S
Molecular Weight:
389.4702
MDL Number:
MFCD02186649
IUPAC Name:
N-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylphenyl]-3-methoxybenzamide
InChI:
InChI=1S/C22H19N3O2S/c1-14-11-15(2)24-22(18(14)13-23)28-20-10-5-4-9-19(20)25-21(26)16-7-6-8-17(12-16)27-3/h4-12H,1-3H3,(H,25,26)
InChI Key:
SZFHQOKTALGVLB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)Nc1ccccc1Sc1nc(C)cc(c1C#N)C
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.12g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.473g/mol
Monoisotopic Mass:
389.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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