N-(4-ethylphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(4-ethylphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1280 |
| Compound Name: | N-(4-ethylphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C26 H26 N2 O3 |
| Smiles: | CCc1ccc(cc1)NC(C1=C2CC(C)(C)CC(C2=CN(C1=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0665 |
| logD: | 4.0468 |
| logSw: | -4.1216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.286 |
| InChI Key: | LGBJWRFAQOUTHS-UHFFFAOYSA-N |