N-(2-cyanophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(2-cyanophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0910 |
| Compound Name: | N-(2-cyanophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C25 H20 F N3 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(Nc2ccccc2C#N)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9018 |
| logD: | 1.5994 |
| logSw: | -3.7225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.644 |
| InChI Key: | AKUXMSGYCHWFLA-UHFFFAOYSA-N |