AC1LD5GC

2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate

Also Known As: NCGC00020069-01|NCGC00020069-02|2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate|2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)nicotinate|2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate|2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate|5-cyano-4-(2-furanyl)-2-methyl-6-[[2-(4-methylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid 2-methoxyethyl ester|5-cyano-4-(2-furyl)-6-[[2-keto-2-(p-toluidino)ethyl]thio]-2-methyl-nicotinic acid 2-methoxyethyl ester

Molecular Formula	C24H23N3O5S
Molecular Weight	465.13583 g/mol
LogP	3.5
Topological Polar Surface Area	140.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	465.13583
Monoisotopic Mass	465.13583
Heavy Atoms	33
Complexity	705.0

Chemical Identifiers

CAS Number	799778-41-9
SMILES	CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C#N)C3=CC=CO3)C(=O)OCCOC)C
InChIKey	BRURIPGVYNUIAO-UHFFFAOYSA-N