2-(4-chlorophenyl)-6,6-dimethyl-N-(3-methylbutyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-6,6-dimethyl-N-(3-methylbutyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
2-(4-chlorophenyl)-6,6-dimethyl-N-(3-methylbutyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1539 |
| Compound Name: | 2-(4-chlorophenyl)-6,6-dimethyl-N-(3-methylbutyl)-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C23 H27 Cl N2 O3 |
| Smiles: | CC(C)CCNC(C1=C2CC(C)(C)CC(C2=CN(C1=O)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5795 |
| logD: | 3.5792 |
| logSw: | -3.9238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.721 |
| InChI Key: | BQRSHJNOWPBAPA-UHFFFAOYSA-N |