4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0830 |
| Compound Name: | 4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 471.47 |
| Molecular Formula: | C16 H24 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCN(CCC(N1CCNCC1)=O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9867 |
| logD: | 0.1587 |
| logSw: | -2.3988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.924 |
| InChI Key: | BUMKRSUTHOFJTJ-UHFFFAOYSA-N |