rel-(4aR,7aS)-1-(4-tert-butylphenyl)-4-[(2-chlorophenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-1-(4-tert-butylphenyl)-4-[(2-chlorophenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(4-tert-butylphenyl)-4-[(2-chlorophenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-1256 |
| Compound Name: | rel-(4aR,7aS)-1-(4-tert-butylphenyl)-4-[(2-chlorophenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 447 |
| Molecular Formula: | C23 H27 Cl N2 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)N1C(CN(Cc2ccccc2[Cl])[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5671 |
| logD: | 3.5671 |
| logSw: | -3.8351 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.919 |
| InChI Key: | JQKWSPMXBJIJLJ-RTWAWAEBSA-N |