rel-(4aR,7aS)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-0858 |
| Compound Name: | rel-(4aR,7aS)-4-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)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: | Cc1ccc(cc1)N1C(CN(CCc2ccc(c(c2)OC)OC)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4005 |
| logD: | 1.4005 |
| logSw: | -2.3615 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.158 |
| InChI Key: | VCLJQAVCMBECSM-VQTJNVASSA-N |