2-(4-ethenylbenzene-1-sulfonyl)-9,10-dimethoxy-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Chemical Structure Depiction of
2-(4-ethenylbenzene-1-sulfonyl)-9,10-dimethoxy-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
2-(4-ethenylbenzene-1-sulfonyl)-9,10-dimethoxy-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Compound characteristics
| Compound ID: | V028-6270 |
| Compound Name: | 2-(4-ethenylbenzene-1-sulfonyl)-9,10-dimethoxy-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C22 H24 N2 O5 S |
| Smiles: | COc1cc2CCN3C(CN(CC3=O)S(c3ccc(C=C)cc3)(=O)=O)c2cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2422 |
| logD: | 2.2422 |
| logSw: | -3.0655 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.318 |
| InChI Key: | GRDASQFMFOPIPI-LJQANCHMSA-N |