N-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1026 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C26 H25 F N2 O3 |
| Smiles: | Cc1ccc(cc1)N1C=C2C(CC(C)(C)CC2=O)=C(C(NCc2ccc(cc2)F)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4108 |
| logD: | 3.3979 |
| logSw: | -3.6582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.608 |
| InChI Key: | FXQBTNMTRLXPGL-UHFFFAOYSA-N |