4-bromo-N-[2-(diethylamino)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[2-(diethylamino)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-bromo-N-[2-(diethylamino)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0226 |
| Compound Name: | 4-bromo-N-[2-(diethylamino)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 553.42 |
| Molecular Formula: | C20 H31 Br N4 O2 |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)CCN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2445 |
| logD: | 0.3595 |
| logSw: | -2.0138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.171 |
| InChI Key: | SLXSHAMSPKKWIV-UHFFFAOYSA-N |