tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8011-7385 |
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 510.05 |
| Molecular Formula: | C27 H28 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)cc1)=O)c1ccc(cc1)[Cl])C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1362 |
| logD: | 3.1656 |
| logSw: | -6.5735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.843 |
| InChI Key: | KSMDSCDCCUMXDN-XMMPIXPASA-N |