rel-(4aR,7aS)-4-[(3,4-dimethoxyphenyl)methyl]-1-(3,5-dimethylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-[(3,4-dimethoxyphenyl)methyl]-1-(3,5-dimethylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-[(3,4-dimethoxyphenyl)methyl]-1-(3,5-dimethylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0128 |
| Compound Name: | rel-(4aR,7aS)-4-[(3,4-dimethoxyphenyl)methyl]-1-(3,5-dimethylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(CN(Cc2ccc(c(c2)OC)OC)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8028 |
| logD: | 1.8028 |
| logSw: | -2.5818 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.18 |
| InChI Key: | YBEJEELXKQOUKF-VQTJNVASSA-N |