ethyl 4-{[2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}piperidine-1-carboxylate
ethyl 4-{[2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | L120-1551 |
| Compound Name: | ethyl 4-{[2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonyl]amino}piperidine-1-carboxylate |
| Molecular Weight: | 499.99 |
| Molecular Formula: | C26 H30 Cl N3 O5 |
| Smiles: | CCOC(N1CCC(CC1)NC(C1=C2CC(C)(C)CC(C2=CN(C1=O)c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9656 |
| logD: | 2.9655 |
| logSw: | -3.512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.113 |
| InChI Key: | BHGKGTBBYNSPLR-UHFFFAOYSA-N |