N-(2-carbamoylphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-carbamoylphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(2-carbamoylphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0909 |
| Compound Name: | N-(2-carbamoylphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C25 H22 F N3 O4 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(Nc2ccccc2C(N)=O)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0721 |
| logD: | 1.54 |
| logSw: | -3.1192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.647 |
| InChI Key: | DYPGZGZABQGCGE-UHFFFAOYSA-N |