rel-(3R,4S)-3-(4-acetylpiperazin-1-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-acetylpiperazin-1-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-acetylpiperazin-1-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1822 |
| Compound Name: | rel-(3R,4S)-3-(4-acetylpiperazin-1-yl)-4-(4-methylbenzene-1-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 400.51 |
| Molecular Formula: | C17 H24 N2 O5 S2 |
| Smiles: | CC(N1CCN(CC1)[C@H]1CS(C[C@@H]1S(c1ccc(C)cc1)(=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1447 |
| logD: | 0.1447 |
| logSw: | -2.1212 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.123 |
| InChI Key: | CAESRLUKQMUWOW-IAGOWNOFSA-N |