rel-(4aR,7aS)-4-(1-phenylethyl)-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-(1-phenylethyl)-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-(1-phenylethyl)-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0302 |
| Compound Name: | rel-(4aR,7aS)-4-(1-phenylethyl)-1-[4-(propan-2-yl)phenyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C23 H28 N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(CN(C(C)c2ccccc2)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2676 |
| logD: | 3.2676 |
| logSw: | -3.4562 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.425 |
| InChI Key: | FGJVBPPXXDIVIB-UOKKUGRISA-N |