rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2241 |
| Compound Name: | rel-(3R,4S)-3-(4-chlorobenzene-1-sulfonyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C19 H22 Cl N3 O4 S2 |
| Smiles: | C1CN(CCN1c1ccccn1)[C@H]1CS(C[C@@H]1S(c1ccc(cc1)[Cl])(=O)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.9767 |
| logD: | 1.956 |
| logSw: | -2.4324 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.699 |
| InChI Key: | AEHOJGYEMSGNDF-ROUUACIJSA-N |