4-ethoxy-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-ethoxy-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-ethoxy-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0702 |
| Compound Name: | 4-ethoxy-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C20 H31 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)CC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3697 |
| logD: | 0.5417 |
| logSw: | -2.0591 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.904 |
| InChI Key: | PNHQOXRIBPMNTF-UHFFFAOYSA-N |