rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0122 |
| Compound Name: | rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[2-(2-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: | Cc1cc(C)cc(c1)N1C(CN(CCc2ccccc2OC)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.57 |
| logD: | 2.57 |
| logSw: | -2.8663 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.528 |
| InChI Key: | XBALHLKJCIAOKZ-LEWJYISDSA-N |