3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Compound characteristics
| Compound ID: | 8012-4562 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C22 H22 N2 O4 |
| Smiles: | COc1ccc(cc1OC)C(\C=C1/C(N2CCc3ccccc3C2CN1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8864 |
| logD: | 2.8853 |
| logSw: | -3.4326 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.944 |
| InChI Key: | GZIAUWSRQYWZMU-SFHVURJKSA-N |