ethyl 1-[6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate
ethyl 1-[6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | L120-1012 |
| Compound Name: | ethyl 1-[6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C27 H32 N2 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(C1=C2CC(C)(C)CC(C2=CN(C1=O)c1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8811 |
| logD: | 2.8811 |
| logSw: | -3.0276 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.596 |
| InChI Key: | DASBCAPBWXBLDX-UHFFFAOYSA-N |