N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0790 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C26 H25 F N2 O5 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(Nc2ccc(c(c2)OC)OC)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8214 |
| logD: | 2.5897 |
| logSw: | -3.4445 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.547 |
| InChI Key: | ANULGYGKJYZJFB-UHFFFAOYSA-N |