N-{2-[benzyl(methyl)amino]ethyl}-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-{2-[benzyl(methyl)amino]ethyl}-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1119 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C29 H33 N3 O3 |
| Smiles: | Cc1ccc(cc1)N1C=C2C(CC(C)(C)CC2=O)=C(C(NCCN(C)Cc2ccccc2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0863 |
| logD: | 2.2758 |
| logSw: | -3.3724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.543 |
| InChI Key: | AQNDJTAYKQMGPU-UHFFFAOYSA-N |