tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-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
Compound characteristics
| Compound ID: | 3448-4295 |
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 434.94 |
| Molecular Formula: | C21 H23 Cl N2 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(=O)OC)c1ccc(cc1)[Cl])C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3328 |
| logD: | 1.3622 |
| logSw: | -5.1287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.544 |
| InChI Key: | ZPAZOHVYTVCLAG-GOSISDBHSA-N |