2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1561 |
| Compound Name: | 2-(4-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 494.97 |
| Molecular Formula: | C27 H27 Cl N2 O5 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCc2cc(ccc2OC)OC)=O)=O)c2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7531 |
| logD: | 3.7516 |
| logSw: | -4.4233 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.782 |
| InChI Key: | HMQKVDBAYBXECL-UHFFFAOYSA-N |