3-bromo-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-bromo-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0995 |
| Compound Name: | 3-bromo-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.39 |
| Molecular Formula: | C22 H26 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(CN(CC(N2CCNCC2)=O)C(c2cccc(c2)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7398 |
| logD: | 2.1803 |
| logSw: | -3.0618 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.531 |
| InChI Key: | ILWXDYURVJZTEJ-UHFFFAOYSA-N |