N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0799 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C26 H23 F N2 O5 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(Nc2ccc3c(c2)OCCO3)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.259 |
| logD: | 2.0273 |
| logSw: | -2.9968 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.109 |
| InChI Key: | NVUJPUAIHPWJDK-UHFFFAOYSA-N |