(3R*,4S*)-3-(4-chlorobenzene-1-sulfonyl)-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
(3R*,4S*)-3-(4-chlorobenzene-1-sulfonyl)-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
(3R*,4S*)-3-(4-chlorobenzene-1-sulfonyl)-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-2239 |
| Compound Name: | (3R*,4S*)-3-(4-chlorobenzene-1-sulfonyl)-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 495.06 |
| Molecular Formula: | C23 H27 Cl N2 O4 S2 |
| Smiles: | C1CN(CCN1C/C=C/c1ccccc1)[C@H]1CS(C[C@@H]1S(c1ccc(cc1)[Cl])(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7879 |
| logD: | 2.7856 |
| logSw: | -3.4013 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.446 |
| InChI Key: | UFRTXTKUPZRINZ-GOTSBHOMSA-N |