dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8016-1180 |
| Compound Name: | dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 558.47 |
| Molecular Formula: | C28 H32 Br N O6 |
| Smiles: | COC(C1=CN(CCC23CC4CC(CC(C4)C3)C2)C=C(C1c1cc2c(cc1[Br])OCO2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8147 |
| logD: | 5.8147 |
| logSw: | -5.4353 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.404 |
| InChI Key: | SJPCIJGHLRPEIK-UHFFFAOYSA-N |