rel-(4aR,7aS)-1-(4-bromophenyl)-4-(butan-2-yl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(4-bromophenyl)-4-(butan-2-yl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(4-bromophenyl)-4-(butan-2-yl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0291 |
| Compound Name: | rel-(4aR,7aS)-1-(4-bromophenyl)-4-(butan-2-yl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 401.32 |
| Molecular Formula: | C16 H21 Br N2 O3 S |
| Smiles: | CCC(C)N1CC(N(c2ccc(cc2)[Br])[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0315 |
| logD: | 2.0315 |
| logSw: | -2.5138 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.661 |
| InChI Key: | HFWXPBMCRBRXHY-YUIIUQSRSA-N |