rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chloro-4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chloro-4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chloro-4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0219 |
| Compound Name: | rel-(4aR,7aS)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chloro-4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 448.92 |
| Molecular Formula: | C21 H21 Cl N2 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(CN(Cc2ccc3c(c2)OCO3)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2963 |
| logD: | 2.2963 |
| logSw: | -3.124 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.034 |
| InChI Key: | WCDKEELIJHNYPE-ROUUACIJSA-N |