N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,6-dimethyl-2-(4-methylphenyl)-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)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1009 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C27 H26 N2 O5 |
| Smiles: | Cc1ccc(cc1)N1C=C2C(CC(C)(C)CC2=O)=C(C(Nc2ccc3c(c2)OCCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.6533 |
| logD: | 2.4216 |
| logSw: | -3.0678 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.109 |
| InChI Key: | OVUFYSWHBSBYQS-UHFFFAOYSA-N |