rel-(4aR,7aS)-4-(butan-2-yl)-1-(3-chloro-4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Chemical Structure Depiction of
rel-(4aR,7aS)-4-(butan-2-yl)-1-(3-chloro-4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
rel-(4aR,7aS)-4-(butan-2-yl)-1-(3-chloro-4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione
Compound characteristics
| Compound ID: | D512-0203 |
| Compound Name: | rel-(4aR,7aS)-4-(butan-2-yl)-1-(3-chloro-4-methylphenyl)hexahydro-1H-6lambda~6~-thieno[3,4-b]pyrazine-2,6,6-trione |
| Molecular Weight: | 370.9 |
| Molecular Formula: | C17 H23 Cl N2 O3 S |
| Smiles: | CCC(C)N1CC(N(c2ccc(C)c(c2)[Cl])[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4676 |
| logD: | 2.4676 |
| logSw: | -3.121 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.661 |
| InChI Key: | USHBZQVLTMWZMG-KZMQIFKDSA-N |