3-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-1032 |
| Compound Name: | 3-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.39 |
| Molecular Formula: | C22 H26 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CCC(N2CCNCC2)=O)C(c2cccc(c2)[Br])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5193 |
| logD: | 1.6913 |
| logSw: | -2.7526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.509 |
| InChI Key: | IMPLXLBKIYUOBJ-UHFFFAOYSA-N |