3-chloro-4-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-4-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-4-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0345 |
| Compound Name: | 3-chloro-4-fluoro-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 483.89 |
| Molecular Formula: | C18 H25 Cl F N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CC(N1CCNCC1)=O)C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.755 |
| logD: | 1.1955 |
| logSw: | -2.9228 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.781 |
| InChI Key: | DFPPXSUPYXMJBO-UHFFFAOYSA-N |