3-chloro-4-fluoro-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0519 |
| Compound Name: | 3-chloro-4-fluoro-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 521.87 |
| Molecular Formula: | C20 H20 Cl F2 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1)C(CN(Cc1ccc(cc1)F)C(c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5292 |
| logD: | 0.9697 |
| logSw: | -2.8144 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.531 |
| InChI Key: | AATAWFFJEOGPSV-UHFFFAOYSA-N |