dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8016-1183 |
| Compound Name: | dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C28 H35 N O6 |
| Smiles: | COC(C1=CN(CCC23CC4CC(CC(C4)C3)C2)C=C(C1c1ccc(c(c1)O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7621 |
| logD: | 4.7171 |
| logSw: | -4.2851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.467 |
| InChI Key: | WHPPEBOTYKMWQU-UHFFFAOYSA-N |