rel-(4aR,7aS)-1-(4-methylphenyl)-4-propylhexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(4-methylphenyl)-4-propylhexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(4-methylphenyl)-4-propylhexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-0868 |
| Compound Name: | rel-(4aR,7aS)-1-(4-methylphenyl)-4-propylhexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 322.42 |
| Molecular Formula: | C16 H22 N2 O3 S |
| Smiles: | CCCN1CC(N(c2ccc(C)cc2)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9684 |
| logD: | 0.9684 |
| logSw: | -2.1162 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.169 |
| InChI Key: | ULRWXYVXTIMOEK-LSDHHAIUSA-N |