rel-(3R,4S)-3-(4-ethoxybenzene-1-sulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-ethoxybenzene-1-sulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-ethoxybenzene-1-sulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2333 |
| Compound Name: | rel-(3R,4S)-3-(4-ethoxybenzene-1-sulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C20 H26 N4 O5 S2 |
| Smiles: | CCOc1ccc(cc1)S([C@H]1CS(C[C@@H]1N1CCN(CC1)c1ncccn1)(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.248 |
| logD: | 1.248 |
| logSw: | -2.3103 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.674 |
| InChI Key: | HMQSTIIWAMQRJI-RTBURBONSA-N |