4-fluoro-N-(2-methoxyethyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-fluoro-N-(2-methoxyethyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-fluoro-N-(2-methoxyethyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0428 |
| Compound Name: | 4-fluoro-N-(2-methoxyethyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 451.42 |
| Molecular Formula: | C17 H24 F N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COCCN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3553 |
| logD: | -1.1833 |
| logSw: | -1.5307 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.102 |
| InChI Key: | LSRUAURICUKTFT-UHFFFAOYSA-N |