rel-(4aR,7aS)-1-(4-ethoxyphenyl)-4-[(pyridin-3-yl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(4-ethoxyphenyl)-4-[(pyridin-3-yl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(4-ethoxyphenyl)-4-[(pyridin-3-yl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-1198 |
| Compound Name: | rel-(4aR,7aS)-1-(4-ethoxyphenyl)-4-[(pyridin-3-yl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(CN(Cc2cccnc2)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.2109 |
| logD: | 0.2108 |
| logSw: | -1.4721 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.56 |
| InChI Key: | HBRMFBNYVTYDSR-RBUKOAKNSA-N |