4-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0899 |
| Compound Name: | 4-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 580.44 |
| Molecular Formula: | C21 H32 Br N5 O2 |
| Salt: | CF3COOH |
| Smiles: | CN1CCN(CC1)CCN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 0.0139 |
| logD: | -0.8141 |
| logSw: | -1.6417 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.947 |
| InChI Key: | LGDYQSYJMBYHAX-UHFFFAOYSA-N |