4-cyano-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-cyano-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-cyano-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0667 |
| Compound Name: | 4-cyano-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 472.46 |
| Molecular Formula: | C19 H26 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | COCCCN(CCC(N1CCNCC1)=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3897 |
| logD: | -1.2177 |
| logSw: | -1.5067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.158 |
| InChI Key: | YCMCZOZSHULYFL-UHFFFAOYSA-N |