3-acetamido-N-butyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-acetamido-N-butyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-acetamido-N-butyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0743 |
| Compound Name: | 3-acetamido-N-butyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 488.51 |
| Molecular Formula: | C20 H30 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCC(N1CCNCC1)=O)C(c1cccc(c1)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4432 |
| logD: | -0.3848 |
| logSw: | -1.9321 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.021 |
| InChI Key: | HGUMIMSQXJMLKJ-UHFFFAOYSA-N |