rel-(4aR,7aS)-4-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-1187 |
| Compound Name: | rel-(4aR,7aS)-4-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 381.49 |
| Molecular Formula: | C18 H27 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(CN(CCN(C)C)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0076 |
| logD: | -0.4535 |
| logSw: | -2.0323 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.158 |
| InChI Key: | LZIIQOFLLWSFIH-DLBZAZTESA-N |