rel-(3R,4S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2145 |
| Compound Name: | rel-(3R,4S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-fluoro-3-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 480.62 |
| Molecular Formula: | C23 H29 F N2 O4 S2 |
| Smiles: | Cc1cc(ccc1F)S([C@H]1CS(C[C@@H]1N1CCN(CC1)c1cccc(C)c1C)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.229 |
| logD: | 3.229 |
| logSw: | -3.5906 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.887 |
| InChI Key: | KHNMXCMFGMELIC-DHIUTWEWSA-N |