tert-butyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4348 |
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 390.93 |
| Molecular Formula: | C20 H23 Cl N2 O2 S |
| Smiles: | CCSC1=C(C#N)C(C(=C(C)N1)C(=O)OC(C)(C)C)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2738 |
| logD: | 2.2878 |
| logSw: | -6.207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.965 |
| InChI Key: | HTBIWHGQMIRGGY-QGZVFWFLSA-N |