2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0903 |
| Compound Name: | 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 448.49 |
| Molecular Formula: | C26 H25 F N2 O4 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCc2cccc(c2)OC)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0847 |
| logD: | 3.0831 |
| logSw: | -3.4296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.152 |
| InChI Key: | YFQBKGYUTJSEAN-UHFFFAOYSA-N |