dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8012-6263 |
| Compound Name: | dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C25 H31 N O4 S |
| Smiles: | COC(C1=CN(CCC23CC4CC(CC(C4)C3)C2)C=C(C1c1cccs1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0572 |
| logD: | 5.0572 |
| logSw: | -4.6612 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.307 |
| InChI Key: | XPKVKOBVKVIXCU-UHFFFAOYSA-N |