dimethyl 1-[(adamantan-1-yl)methyl]-4-(3-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(adamantan-1-yl)methyl]-4-(3-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(adamantan-1-yl)methyl]-4-(3-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8013-3931 |
| Compound Name: | dimethyl 1-[(adamantan-1-yl)methyl]-4-(3-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C26 H30 Cl N O4 |
| Smiles: | COC(C1=CN(CC23CC4CC(CC(C4)C3)C2)C=C(C1c1cccc(c1)[Cl])C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7001 |
| logD: | 5.7001 |
| logSw: | -6.1133 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.31 |
| InChI Key: | PJXDASDNQORMSP-UHFFFAOYSA-N |