4-bromo-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-bromo-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0906 |
| Compound Name: | 4-bromo-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 562.4 |
| Molecular Formula: | C17 H26 Br N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COCCCN(CCC(N1CCNCC1)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1509 |
| logD: | 0.3229 |
| logSw: | -2.2897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.266 |
| InChI Key: | WCVNWZTXWSHARL-UHFFFAOYSA-N |