N-butyl-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-butyl-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0734 |
| Compound Name: | N-butyl-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 456.46 |
| Molecular Formula: | C19 H26 N4 O2 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCC(N1CCNCC1)=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6796 |
| logD: | -0.1483 |
| logSw: | -1.8567 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.816 |
| InChI Key: | GDYBLCGTRCSLSY-UHFFFAOYSA-N |