rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-[2-(3-methoxyphenyl)ethyl]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-[2-(3-methoxyphenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-[2-(3-methoxyphenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0086 |
| Compound Name: | rel-(4aR,7aS)-1-(3,4-dimethylphenyl)-4-[2-(3-methoxyphenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C23 H28 N2 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(CN(CCc2cccc(c2)OC)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.6071 |
| logD: | 2.6071 |
| logSw: | -2.8627 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.441 |
| InChI Key: | FHLCWPFETMSTKL-FCHUYYIVSA-N |