N-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1133 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 448.95 |
| Molecular Formula: | C26 H25 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1)N1C=C2C(CC(C)(C)CC2=O)=C(C(NCc2ccc(cc2)[Cl])=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.9764 |
| logD: | 3.9635 |
| logSw: | -4.4184 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.608 |
| InChI Key: | POOQGMPUCZTHOG-UHFFFAOYSA-N |