4-bromo-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-bromo-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0471 |
| Compound Name: | 4-bromo-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 574.39 |
| Molecular Formula: | C22 H26 Br N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN(CCC(N2CCNCC2)=O)C(c2ccc(cc2)[Br])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.9971 |
| logD: | 1.1692 |
| logSw: | -2.6437 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.053 |
| InChI Key: | NBGNUFQQJPCOSZ-UHFFFAOYSA-N |