N-[(3-chlorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[(3-chlorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1350 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 434.92 |
| Molecular Formula: | C25 H23 Cl N2 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCc2cccc(c2)[Cl])=O)=O)c2ccccc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5341 |
| logD: | 3.5292 |
| logSw: | -3.8235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.608 |
| InChI Key: | PHESWVQHJFWVAU-UHFFFAOYSA-N |