N-(4-chlorophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(4-chlorophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0912 |
| Compound Name: | N-(4-chlorophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 438.88 |
| Molecular Formula: | C24 H20 Cl F N2 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(Nc2ccc(cc2)[Cl])=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8812 |
| logD: | 3.3761 |
| logSw: | -4.4485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.286 |
| InChI Key: | NPAYUZFSAJXLHR-UHFFFAOYSA-N |