dimethyl 1-[4-(butylsulfanyl)phenyl]-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[4-(butylsulfanyl)phenyl]-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[4-(butylsulfanyl)phenyl]-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8014-0417 |
| Compound Name: | dimethyl 1-[4-(butylsulfanyl)phenyl]-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 545.05 |
| Molecular Formula: | C27 H29 Cl N2 O6 S |
| Smiles: | CCCCSc1ccc(cc1)N1C(C)=C(C(C(=C1C)C(=O)OC)c1ccc(c(c1)[N+]([O-])=O)[Cl])C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0806 |
| logD: | 6.0806 |
| logSw: | -6.1725 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.832 |
| InChI Key: | IZSORZHEVBRLKE-UHFFFAOYSA-N |