3,4-difluoro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-difluoro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3,4-difluoro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0705 |
| Compound Name: | 3,4-difluoro-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 467.43 |
| Molecular Formula: | C18 H25 F2 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CCC(N1CCNCC1)=O)C(c1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2931 |
| logD: | 0.4651 |
| logSw: | -2.0539 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.781 |
| InChI Key: | ABHKSKGTIBWRAU-UHFFFAOYSA-N |