rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
Compound ID: | D470-1780 |
Compound Name: | rel-(3R,4S)-3-(benzenesulfonyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione |
Molecular Weight: | 450.57 |
Molecular Formula: | C21 H26 N2 O5 S2 |
Smiles: | COc1ccccc1N1CCN(CC1)[C@H]1CS(C[C@@H]1S(c1ccccc1)(=O)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.5301 |
logD: | 1.53 |
logSw: | -2.1444 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 71.517 |
InChI Key: | XEJRKZDRYHMKPW-TZIWHRDSSA-N |