1-{4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0011 |
| Compound Name: | 1-{4-[3-(benzenesulfonyl)propanoyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C17 H20 N2 O4 S |
| Smiles: | CC#CC(N1CCN(CC1)C(CCS(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5785 |
| logD: | 0.5785 |
| logSw: | -1.9875 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.596 |
| InChI Key: | HOYMDIRDPTXIBC-UHFFFAOYSA-N |