3-bromo-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-bromo-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0672 |
| Compound Name: | 3-bromo-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 526.35 |
| Molecular Formula: | C18 H26 Br N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COCCCN(CCC(N1CCNCC1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7207 |
| logD: | -0.1073 |
| logSw: | -1.8855 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.102 |
| InChI Key: | UHTVXEVLPVTSBJ-UHFFFAOYSA-N |