3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0550 |
| Compound Name: | 3-chloro-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylpropyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.96 |
| Molecular Formula: | C23 H27 Cl F N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CC(CN(CCC(N1CCNCC1)=O)C(c1ccc(c(c1)[Cl])F)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7504 |
| logD: | 1.9224 |
| logSw: | -3.6909 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.509 |
| InChI Key: | DTLIIHIPEXQZPN-KRWDZBQOSA-N |