N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1114 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C28 H30 N2 O5 |
| Smiles: | Cc1ccc(cc1)N1C=C2C(CC(C)(C)CC2=O)=C(C(NCc2cc(ccc2OC)OC)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.5818 |
| logD: | 3.5802 |
| logSw: | -3.7226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.782 |
| InChI Key: | QDJFEHSCUGXWTC-UHFFFAOYSA-N |