dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8013-3666 |
| Compound Name: | dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 504.45 |
| Molecular Formula: | C27 H31 Cl2 N O4 |
| Smiles: | COC(C1=CN(CCC23CC4CC(CC(C4)C3)C2)C=C(C1c1ccc(c(c1)[Cl])[Cl])C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.821 |
| logD: | 6.821 |
| logSw: | -6.5997 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.288 |
| InChI Key: | QJFYKIBBFIFQIA-UHFFFAOYSA-N |