4-bromo-N-(3-methoxypropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-(3-methoxypropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-bromo-N-(3-methoxypropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0585 |
| Compound Name: | 4-bromo-N-(3-methoxypropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 548.37 |
| Molecular Formula: | C16 H24 Br N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COCCCN(CC(N1CCNCC1)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9475 |
| logD: | 0.388 |
| logSw: | -2.375 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.288 |
| InChI Key: | YXPGPYSKHAPTPJ-UHFFFAOYSA-N |