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Home > Pyridines > 444152-01-6
444152-01-6 | N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(3-cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetamide
CAS No: 444152-01-6 Catalog No: AG01F2X2 MDL No:
Product Description
Catalog Number:
AG01F2X2
Chemical Name:
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(3-cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-acetamide
CAS Number:
444152-01-6
Molecular Formula:
C27H20N4OS2
Molecular Weight:
480.6039
IUPAC Name:
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetamide
InChI:
InChI=1S/C27H20N4OS2/c1-17-18(2)34-27(22(17)14-28)31-25(32)16-33-26-23(15-29)21(19-9-5-3-6-10-19)13-24(30-26)20-11-7-4-8-12-20/h3-13H,16H2,1-2H3,(H,31,32)
InChI Key:
IVPTVKJHRPJHJQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2sc(c(c2C#N)C)C)nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.108g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.604g/mol
Monoisotopic Mass:
480.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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