N-(3-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(3-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1189 |
| Compound Name: | N-(3-fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C25 H23 F N2 O3 |
| Smiles: | Cc1ccc(cc1)N1C=C2C(CC(C)(C)CC2=O)=C(C(Nc2cccc(c2)F)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.8342 |
| logD: | 3.2711 |
| logSw: | -4.0462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.286 |
| InChI Key: | FKTCDQNSYPHGSH-UHFFFAOYSA-N |