rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[2-(4-fluorophenyl)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-(4-fluorophenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[2-(4-fluorophenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0121 |
| Compound Name: | rel-(4aR,7aS)-1-(3,5-dimethylphenyl)-4-[2-(4-fluorophenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 416.51 |
| Molecular Formula: | C22 H25 F N2 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(CN(CCc2ccc(cc2)F)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5637 |
| logD: | 2.5637 |
| logSw: | -2.7562 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.897 |
| InChI Key: | NHDLYYCMMYLAFF-LEWJYISDSA-N |