dimethyl 1-[(adamantan-1-yl)methyl]-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(adamantan-1-yl)methyl]-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(adamantan-1-yl)methyl]-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8014-8899 |
| Compound Name: | dimethyl 1-[(adamantan-1-yl)methyl]-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C24 H29 N O4 S |
| Smiles: | COC(C1=CN(CC23CC4CC(CC(C4)C3)C2)C=C(C1c1ccsc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8887 |
| logD: | 4.8887 |
| logSw: | -4.6777 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.328 |
| InChI Key: | WRAGJBVLQHLACZ-UHFFFAOYSA-N |