4-bromo-N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-bromo-N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0633 |
| Compound Name: | 4-bromo-N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 532.37 |
| Molecular Formula: | C16 H24 Br N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(N1CCNCC1)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9879 |
| logD: | 1.4284 |
| logSw: | -2.7026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.967 |
| InChI Key: | BATISAFMXHTLGG-UHFFFAOYSA-N |