dimethyl 1-(adamantan-1-yl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-(adamantan-1-yl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-(adamantan-1-yl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 5071-7772 |
| Compound Name: | dimethyl 1-(adamantan-1-yl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 491.51 |
| Molecular Formula: | C26 H28 F3 N O5 |
| Smiles: | COC(C1=CN(C=C(C1c1ccc(cc1)OC(F)(F)F)C(=O)OC)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8961 |
| logD: | 5.8961 |
| logSw: | -5.7326 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.625 |
| InChI Key: | NBXXDPMOBHFJDL-UHFFFAOYSA-N |