4-bromo-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-bromo-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0462 |
| Compound Name: | 4-bromo-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 584.38 |
| Molecular Formula: | C19 H21 Br F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1)C(CN(Cc1ccc(cc1)F)S(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.294 |
| logD: | 1.7345 |
| logSw: | -2.8705 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | PARBZLXLHOLCLL-UHFFFAOYSA-N |