3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0880 |
| Compound Name: | 3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 538.97 |
| Molecular Formula: | C21 H30 Cl F N4 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CCN(CC1)CCN(CCC(N1CCNCC1)=O)C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8295 |
| logD: | 0.0015 |
| logSw: | -2.706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.47 |
| InChI Key: | PIWXGESYSXYXSN-UHFFFAOYSA-N |