3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(piperidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(piperidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(piperidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1132 |
| Compound Name: | 3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(piperidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.59 |
| Molecular Formula: | C21 H32 F2 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CCN(CC1)CCCN(CCC(N1CCNCC1)=O)S(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.372 |
| logD: | -0.382 |
| logSw: | -2.4418 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.635 |
| InChI Key: | IKGLKGKBNMPBOH-UHFFFAOYSA-N |