AC1NQV3E

ethyl 5-cyano-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methylpyridine-3-carboxylate

Also Known As: Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate|ethyl 4-[2-(3,3-dimethyl-2-oxobutylthio)-3-cyano-5-(ethoxycarbonyl)-6-methyl-4 -pyridyl]benzoate|ethyl 5-cyano-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methylpyridine-3-carboxylate

Molecular Formula	C25H28N2O5S
Molecular Weight	468.1719 g/mol
LogP	4.9894
Topological Polar Surface Area	106.35 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	468.1719
Monoisotopic Mass	468.1719
Heavy Atoms	33
Complexity	1095.7511

Chemical Identifiers

CAS Number	6926-98-3
SMILES	CCOC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)OCC)C)SCC(=O)C(C)(C)C)C#N