dimethyl 1-[(adamantan-1-yl)methyl]-4-(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(adamantan-1-yl)methyl]-4-(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(adamantan-1-yl)methyl]-4-(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8012-6259 |
| Compound Name: | dimethyl 1-[(adamantan-1-yl)methyl]-4-(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C27 H31 N O6 |
| Smiles: | COC(C1=CN(CC23CC4CC(CC(C4)C3)C2)C=C(C1c1ccc2c(c1)OCO2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.058 |
| logD: | 5.058 |
| logSw: | -4.8427 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.425 |
| InChI Key: | DUDQKIDUUPLHSH-UHFFFAOYSA-N |