AC1MJ3SG

tert-butyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate

Also Known As: ChemDiv1_005956|Oprea1_226832|Oprea1_477042|HMS603O16|BAS 01369419|tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate|AG-690/13706560|SR-01000452035-1|F0763-0025|A2369/0100143|tert-butyl 4-(4-chlorophenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate|tert-butyl 4-(4-chlorophenyl)-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate|methyl 2-{5-[(tert-butyl)oxycarbonyl]-4-(4-chlorophenyl)-3-cyano-6-methyl-2-1, 4-dihydropyridylthio}acetate|tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydro-3-pyridinecarboxylate

Molecular Formula	C21H23ClN2O4S
Molecular Weight	434.10672 g/mol
LogP	4.28388
Topological Polar Surface Area	88.42 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	434.10672
Monoisotopic Mass	434.10672
Heavy Atoms	29
Complexity	908.0942

Chemical Identifiers

CAS Number	337499-36-2
SMILES	CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C