N-(3-chloro-2-methylphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(3-chloro-2-methylphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0961 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 452.91 |
| Molecular Formula: | C25 H22 Cl F N2 O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(C1=C2CC(C)(C)CC(C2=CN(C1=O)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.292 |
| logD: | 3.5436 |
| logSw: | -4.3907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.588 |
| InChI Key: | AWMOEIHCPFFKSX-UHFFFAOYSA-N |