tert-butyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
tert-butyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0474 |
| Compound Name: | tert-butyl 4-(4-chlorophenyl)-6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 487.45 |
| Molecular Formula: | C25 H24 Cl2 N2 O2 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1ccc(cc1)[Cl])c1ccc(cc1)[Cl])C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.632 |
| logD: | 3.8846 |
| logSw: | -6.6548 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.694 |
| InChI Key: | DZRGHWXYVHMMJB-JOCHJYFZSA-N |