dimethyl 1-[(adamantan-1-yl)methyl]-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(adamantan-1-yl)methyl]-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(adamantan-1-yl)methyl]-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8014-8894 |
| Compound Name: | dimethyl 1-[(adamantan-1-yl)methyl]-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 502.01 |
| Molecular Formula: | C27 H32 Cl N O6 |
| Smiles: | COC(C1=CN(CC23CC4CC(CC(C4)C3)C2)C=C(C1c1cc(c(c(c1)[Cl])O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.471 |
| logD: | 5.4639 |
| logSw: | -5.6195 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.42 |
| InChI Key: | URSNOWPIGDBTHB-UHFFFAOYSA-N |