rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-1200 |
| Compound Name: | rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C22 H24 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)N1C(CN(Cc2ccc3c(c2)OCO3)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.3952 |
| logD: | 1.3952 |
| logSw: | -2.4537 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.158 |
| InChI Key: | DSLGCLYXHOAASB-RBUKOAKNSA-N |