ethyl 4-{[6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}piperidine-1-carboxylate
ethyl 4-{[6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | L120-1101 |
| Compound Name: | ethyl 4-{[6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}piperidine-1-carboxylate |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C27 H33 N3 O5 |
| Smiles: | CCOC(N1CCC(CC1)NC(C1=C2CC(C)(C)CC(C2=CN(C1=O)c1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7942 |
| logD: | 2.7942 |
| logSw: | -3.1794 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.113 |
| InChI Key: | VABGDGKBGLIGHT-UHFFFAOYSA-N |