2-(4-fluorophenyl)-6,6-dimethyl-N-[(3-methylphenyl)methyl]-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-6,6-dimethyl-N-[(3-methylphenyl)methyl]-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
2-(4-fluorophenyl)-6,6-dimethyl-N-[(3-methylphenyl)methyl]-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0983 |
| Compound Name: | 2-(4-fluorophenyl)-6,6-dimethyl-N-[(3-methylphenyl)methyl]-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C26 H25 F N2 O3 |
| Smiles: | Cc1cccc(CNC(C2=C3CC(C)(C)CC(C3=CN(C2=O)c2ccc(cc2)F)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6759 |
| logD: | 3.6709 |
| logSw: | -3.9971 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.608 |
| InChI Key: | VORHRGQSQGUSLK-UHFFFAOYSA-N |