N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)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-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1112 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C30 H33 N3 O3 |
| Smiles: | Cc1ccc(cc1)N1C=C2C(CC(C)(C)CC2=O)=C(C(NCCN2CCc3ccccc3C2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.5104 |
| logD: | 2.943 |
| logSw: | -3.567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.094 |
| InChI Key: | QRTOVCYDDVAEFU-UHFFFAOYSA-N |