6,6-dimethyl-3,8-dioxo-N,2-diphenyl-N-(prop-2-en-1-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
6,6-dimethyl-3,8-dioxo-N,2-diphenyl-N-(prop-2-en-1-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
6,6-dimethyl-3,8-dioxo-N,2-diphenyl-N-(prop-2-en-1-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1309 |
| Compound Name: | 6,6-dimethyl-3,8-dioxo-N,2-diphenyl-N-(prop-2-en-1-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C27 H26 N2 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(N(CC=C)c2ccccc2)=O)=O)c2ccccc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6561 |
| logD: | 3.6561 |
| logSw: | -3.8281 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.796 |
| InChI Key: | QGAVAYGMSCPFDD-UHFFFAOYSA-N |