3-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
3-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0348 |
| Compound Name: | 3-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 497.49 |
| Molecular Formula: | C22 H26 F N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C(CN(CCc1ccccc1)C(c1cccc(c1)F)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3632 |
| logD: | 0.5352 |
| logSw: | -1.8196 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.488 |
| InChI Key: | CRUVJKXOJRXFHR-UHFFFAOYSA-N |