(3R*,4S*)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
(3R*,4S*)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
(3R*,4S*)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D470-1693 |
| Compound Name: | (3R*,4S*)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-4-(thiophene-2-sulfonyl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 466.64 |
| Molecular Formula: | C21 H26 N2 O4 S3 |
| Smiles: | C1CN(CCN1C/C=C/c1ccccc1)[C@H]1CS(C[C@@H]1S(c1cccs1)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8635 |
| logD: | 1.8612 |
| logSw: | -2.1688 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.465 |
| InChI Key: | LJBOZVSHGNBAJY-WOJBJXKFSA-N |