rel-(3R,4S)-3-(4-fluorobenzene-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-fluorobenzene-1-sulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-fluorobenzene-1-sulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1969 |
| Compound Name: | rel-(3R,4S)-3-(4-fluorobenzene-1-sulfonyl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 440.51 |
| Molecular Formula: | C18 H21 F N4 O4 S2 |
| Smiles: | C1CN(CCN1c1ncccn1)[C@H]1CS(C[C@@H]1S(c1ccc(cc1)F)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9081 |
| logD: | 0.9081 |
| logSw: | -2.1549 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.55 |
| InChI Key: | DNKYZCRXHLCASP-IAGOWNOFSA-N |