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478045-70-4 | N-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]phenyl}thiophene-2-carboxamide
CAS No: 478045-70-4 Catalog No: AG00IQ6N MDL No:MFCD02186647
Product Description
Catalog Number:
AG00IQ6N
Chemical Name:
N-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]phenyl}thiophene-2-carboxamide
CAS Number:
478045-70-4
Molecular Formula:
C19H15N3OS2
Molecular Weight:
365.4719
MDL Number:
MFCD02186647
IUPAC Name:
N-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylphenyl]thiophene-2-carboxamide
InChI:
InChI=1S/C19H15N3OS2/c1-12-10-13(2)21-19(14(12)11-20)25-16-7-4-3-6-15(16)22-18(23)17-8-5-9-24-17/h3-10H,1-2H3,(H,22,23)
InChI Key:
NWCYRDBGOULXEY-UHFFFAOYSA-N
SMILES:
N#Cc1c(nc(cc1C)C)Sc1ccccc1NC(=O)c1cccs1
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.066g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.469g/mol
Monoisotopic Mass:
365.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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