dimethyl 1-(adamantan-1-yl)-4-(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-(adamantan-1-yl)-4-(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-(adamantan-1-yl)-4-(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8014-0900 |
| Compound Name: | dimethyl 1-(adamantan-1-yl)-4-(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C26 H29 N O6 |
| Smiles: | COC(C1=CN(C=C(C1c1ccc2c(c1)OCO2)C(=O)OC)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6579 |
| logD: | 4.6579 |
| logSw: | -4.5387 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.804 |
| InChI Key: | XGCPMBCVWZTODB-UHFFFAOYSA-N |