rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-(1-phenylethyl)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-(1-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-(1-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0081 |
| Compound Name: | rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-(1-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CC(c1ccccc1)N1CC(N(c2ccc(C)c(C)c2)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0771 |
| logD: | 3.0771 |
| logSw: | -3.2217 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.425 |
| InChI Key: | YIFITLNYFZQEDG-GLTUQPQBSA-N |