tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4395 |
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 540.08 |
| Molecular Formula: | C28 H30 Cl N3 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=C(C#N)C(C(=C(C)N1)C(=O)OC(C)(C)C)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0817 |
| logD: | 3.1112 |
| logSw: | -6.4724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.967 |
| InChI Key: | VNEXMQQCIPKABA-RUZDIDTESA-N |