rel-(3R,4S)-3-(4-methoxybenzene-1-sulfonyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-methoxybenzene-1-sulfonyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-methoxybenzene-1-sulfonyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2052 |
| Compound Name: | rel-(3R,4S)-3-(4-methoxybenzene-1-sulfonyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 464.6 |
| Molecular Formula: | C22 H28 N2 O5 S2 |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)[C@H]1CS(C[C@@H]1S(c1ccc(cc1)OC)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1393 |
| logD: | 2.1393 |
| logSw: | -2.5103 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.731 |
| InChI Key: | QKBJQAOMZFXGKL-FGZHOGPDSA-N |