tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
					Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
			tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4473 | 
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate | 
| Molecular Weight: | 524.08 | 
| Molecular Formula: | C28 H30 Cl N3 O3 S | 
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)cc1C)=O)c1ccc(cc1)[Cl])C(=O)OC(C)(C)C | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 6.1954 | 
| logD: | 3.2248 | 
| logSw: | -6.3959 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 69.145 | 
| InChI Key: | QRCQMDZUNDOFMI-RUZDIDTESA-N |