dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8012-6270 |
| Compound Name: | dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 520.45 |
| Molecular Formula: | C27 H31 Cl2 N O5 |
| Smiles: | COC(C1=CN(CCOC23CC4CC(CC(C4)C3)C2)C=C(C1c1cccc(c1[Cl])[Cl])C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1029 |
| logD: | 6.1029 |
| logSw: | -6.2622 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.516 |
| InChI Key: | JXPWKCVAIZFICG-UHFFFAOYSA-N |