rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(2-phenylethyl)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-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(2-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0221 |
| Compound Name: | rel-(4aR,7aS)-1-(3-chloro-4-methylphenyl)-4-(2-phenylethyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 418.94 |
| Molecular Formula: | C21 H23 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(CN(CCc2ccccc2)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.73 |
| logD: | 2.73 |
| logSw: | -3.3365 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.897 |
| InChI Key: | JWCQUYNELMDYMQ-PMACEKPBSA-N |