4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0556 |
| Compound Name: | 4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 565.43 |
| Molecular Formula: | C21 H31 Br N4 O2 |
| Salt: | CF3COOH |
| Smiles: | CCN1CCCC1CN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9793 |
| logD: | 0.1513 |
| logSw: | -2.0231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.416 |
| InChI Key: | HNIHGUMIQHSUIK-LJQANCHMSA-N |