rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-4-[2-(4-fluorophenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-[2-(4-fluorophenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0223 |
| Compound Name: | rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-[2-(4-fluorophenyl)ethyl]hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 436.93 |
| Molecular Formula: | C21 H22 Cl F N2 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(CN(CCc2ccc(cc2)F)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.7591 |
| logD: | 2.7591 |
| logSw: | -3.3756 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.897 |
| InChI Key: | JOQNRNPOIGXDDM-PMACEKPBSA-N |