dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8014-8898 |
| Compound Name: | dimethyl 1-{2-[(adamantan-1-yl)oxy]ethyl}-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C26 H33 N O5 S |
| Smiles: | Cc1ccc(C2C(=CN(CCOC34CC5CC(CC(C5)C4)C3)C=C2C(=O)OC)C(=O)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2239 |
| logD: | 5.2239 |
| logSw: | -5.1179 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.534 |
| InChI Key: | PWCCZSLYMYXLHY-UHFFFAOYSA-N |