rel-(4aR,7aS)-1-(3-methylphenyl)-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-methylphenyl)-4-[2-(thiophen-2-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3-methylphenyl)-4-[2-(thiophen-2-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0027 |
| Compound Name: | rel-(4aR,7aS)-1-(3-methylphenyl)-4-[2-(thiophen-2-yl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 390.52 |
| Molecular Formula: | C19 H22 N2 O3 S2 |
| Smiles: | Cc1cccc(c1)N1C(CN(CCc2cccs2)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8873 |
| logD: | 1.8873 |
| logSw: | -2.5169 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.916 |
| InChI Key: | KODUQZKMDJVBNH-ZWKOTPCHSA-N |