di(propan-2-yl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
di(propan-2-yl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | Y070-0117 |
| Compound Name: | di(propan-2-yl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 391.89 |
| Molecular Formula: | C21 H26 Cl N O4 |
| Smiles: | CC(C)OC(C1C(C(=C(C)NC=1C)C(=O)OC(C)C)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9471 |
| logD: | 0.8187 |
| logSw: | -5.0282 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.219 |
| InChI Key: | VCGRNSSRFYCRPJ-UHFFFAOYSA-N |