N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0978 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C27 H27 F N2 O4 |
| Smiles: | CCOc1ccc(CNC(C2=C3CC(C)(C)CC(C3=CN(C2=O)c2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3563 |
| logD: | 3.3558 |
| logSw: | -3.4522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.731 |
| InChI Key: | UMMDWJZSCAGRPK-UHFFFAOYSA-N |