rel-(4aR,7aS)-4-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D445-1199 |
| Compound Name: | rel-(4aR,7aS)-4-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 434.94 |
| Molecular Formula: | C21 H23 Cl N2 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(CN(Cc2ccccc2[Cl])[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.1416 |
| logD: | 2.1416 |
| logSw: | -2.786 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.043 |
| InChI Key: | ODAVZGIHVFUFMG-UXHICEINSA-N |