tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylsulfanyl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylsulfanyl)-1,4-dihydropyridine-3-carboxylate
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylsulfanyl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8011-5037 |
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylsulfanyl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 376.9 |
| Molecular Formula: | C19 H21 Cl N2 O2 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SC)c1ccc(cc1)[Cl])C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8284 |
| logD: | 1.3955 |
| logSw: | -5.3968 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.965 |
| InChI Key: | ZHVZBLSJPIRWLO-MRXNPFEDSA-N |