rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]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-fluorophenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0111 |
| Compound Name: | rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C21 H23 F N2 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(CN(Cc2ccccc2F)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5038 |
| logD: | 2.5038 |
| logSw: | -2.7802 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.919 |
| InChI Key: | HJNPDBRPLKGKGQ-VQTJNVASSA-N |