4-cyano-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-cyano-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-cyano-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0374 |
| Compound Name: | 4-cyano-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 484.47 |
| Molecular Formula: | C20 H26 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CC(CN(CCC(N2CCNCC2)=O)C(c2ccc(C#N)cc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4865 |
| logD: | -1.3144 |
| logSw: | -1.5245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.22 |
| InChI Key: | WPHLVAQQCJHXOA-GOSISDBHSA-N |