2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-5600 |
| Compound Name: | 2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C28 H29 F N2 O6 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCc2cc(c(c(c2)OC)OC)OC)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7689 |
| logD: | 2.7689 |
| logSw: | -3.2984 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.586 |
| InChI Key: | CVCJPCGXGAEKRO-UHFFFAOYSA-N |