3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0344 |
| Compound Name: | 3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 515.48 |
| Molecular Formula: | C22 H25 F2 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C(CN(CCc1ccccc1)C(c1ccc(c(c1)F)F)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6169 |
| logD: | 0.7889 |
| logSw: | -1.9734 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.488 |
| InChI Key: | BDHGXOXYAPDTTF-UHFFFAOYSA-N |