3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0651 |
| Compound Name: | 3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 469.86 |
| Molecular Formula: | C17 H23 Cl F N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CCCN(CCC(N1CCNCC1)=O)C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9495 |
| logD: | 0.1215 |
| logSw: | -2.7786 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.759 |
| InChI Key: | TWRNKTYXWGPVHV-UHFFFAOYSA-N |