3-[2-(4-methylphenyl)-2-oxoethylidene]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Chemical Structure Depiction of
3-[2-(4-methylphenyl)-2-oxoethylidene]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
3-[2-(4-methylphenyl)-2-oxoethylidene]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Compound characteristics
| Compound ID: | 8012-3451 |
| Compound Name: | 3-[2-(4-methylphenyl)-2-oxoethylidene]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C21 H20 N2 O2 |
| Smiles: | Cc1ccc(cc1)C(\C=C1/C(N2CCc3ccccc3C2CN1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6116 |
| logD: | 3.6105 |
| logSw: | -3.5788 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.683 |
| InChI Key: | KDZSISMXFGYTHQ-IBGZPJMESA-N |