rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,5-dimethylphenyl)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-(3,5-dimethylphenyl)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-(3,5-dimethylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0117 |
| Compound Name: | rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,5-dimethylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C22 H24 N2 O5 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(CN(Cc2ccc3c(c2)OCO3)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.101 |
| logD: | 2.101 |
| logSw: | -2.8719 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.034 |
| InChI Key: | SPBNZGCEILVTOZ-RBUKOAKNSA-N |