4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0859 |
| Compound Name: | 4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.64 |
| Molecular Formula: | C25 H40 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCOc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)CCN1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.806 |
| logD: | 0.978 |
| logSw: | -2.0645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.888 |
| InChI Key: | IHJZPMNFLKEKDY-UHFFFAOYSA-N |