N-[(4-ethylphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[(4-ethylphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1336 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C27 H28 N2 O3 |
| Smiles: | CCc1ccc(CNC(C2=C3CC(C)(C)CC(C3=CN(C2=O)c2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7674 |
| logD: | 3.7625 |
| logSw: | -4.0706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.608 |
| InChI Key: | KKQDOYSSDOQDHJ-UHFFFAOYSA-N |