rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-[2-(thiophen-2-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-[2-(thiophen-2-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-[2-(thiophen-2-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-0887 |
| Compound Name: | rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-[2-(thiophen-2-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C20 H24 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1C)N1C(CN(CCc2cccs2)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5214 |
| logD: | 2.5214 |
| logSw: | -2.7561 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.916 |
| InChI Key: | VKBYRASFSCZNIE-RBUKOAKNSA-N |