6,6-dimethyl-3,8-dioxo-2-phenyl-N-(3-phenylpropyl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
6,6-dimethyl-3,8-dioxo-2-phenyl-N-(3-phenylpropyl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
6,6-dimethyl-3,8-dioxo-2-phenyl-N-(3-phenylpropyl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1429 |
| Compound Name: | 6,6-dimethyl-3,8-dioxo-2-phenyl-N-(3-phenylpropyl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C27 H28 N2 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCCCc2ccccc2)=O)=O)c2ccccc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7468 |
| logD: | 3.7467 |
| logSw: | -4.1762 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.449 |
| InChI Key: | PQLVLYXWOKNSJH-UHFFFAOYSA-N |