dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(4-hydroxy-3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(4-hydroxy-3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(4-hydroxy-3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8014-8893 |
| Compound Name: | dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(4-hydroxy-3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C28 H35 N O7 |
| Smiles: | COC(C1=CN(CCOC23CC4CC(CC(C4)C3)C2)C=C(C1c1ccc(c(c1)OC)O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0578 |
| logD: | 4.0573 |
| logSw: | -3.8194 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.694 |
| InChI Key: | RWYZSGSHRJJBOK-UHFFFAOYSA-N |