2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0976 |
| Compound Name: | 2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 436.46 |
| Molecular Formula: | C25 H22 F2 N2 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCc2ccccc2F)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3618 |
| logD: | 3.3568 |
| logSw: | -3.534 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.608 |
| InChI Key: | FVYBNGVWBWJLPK-UHFFFAOYSA-N |