4-ethoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-ethoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-ethoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0313 |
| Compound Name: | 4-ethoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C21 H33 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)C(N(CCC(C)C)CCC(N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6982 |
| logD: | 0.8702 |
| logSw: | -2.1291 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.883 |
| InChI Key: | UWGRKQBXVSTFEP-UHFFFAOYSA-N |