dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8014-8895 |
| Compound Name: | dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 532.03 |
| Molecular Formula: | C28 H34 Cl N O7 |
| Smiles: | COC(C1=CN(CCOC23CC4CC(CC(C4)C3)C2)C=C(C1c1cc(c(c(c1)[Cl])O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1859 |
| logD: | 5.1788 |
| logSw: | -5.3273 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.626 |
| InChI Key: | IJNOUPRQNVGBAN-UHFFFAOYSA-N |