4-{2-[rel-(4aR,7aS)-4-(3-chloro-4-methylphenyl)-3,6,6-trioxooctahydro-1H-6lambda~6~-thieno[3,4-b]pyrazin-1-yl]ethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{2-[rel-(4aR,7aS)-4-(3-chloro-4-methylphenyl)-3,6,6-trioxooctahydro-1H-6lambda~6~-thieno[3,4-b]pyrazin-1-yl]ethyl}benzene-1-sulfonamide
4-{2-[rel-(4aR,7aS)-4-(3-chloro-4-methylphenyl)-3,6,6-trioxooctahydro-1H-6lambda~6~-thieno[3,4-b]pyrazin-1-yl]ethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D512-0227 |
| Compound Name: | 4-{2-[rel-(4aR,7aS)-4-(3-chloro-4-methylphenyl)-3,6,6-trioxooctahydro-1H-6lambda~6~-thieno[3,4-b]pyrazin-1-yl]ethyl}benzene-1-sulfonamide |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C21 H24 Cl N3 O5 S2 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(CN(CCc2ccc(cc2)S(N)(=O)=O)[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0906 |
| logD: | 1.0899 |
| logSw: | -2.7621 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.501 |
| InChI Key: | KFBQMJSKWYNPAO-PMACEKPBSA-N |