4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0600 |
| Compound Name: | 4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 515.52 |
| Molecular Formula: | C18 H28 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(CC(N1CCNCC1)=O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6166 |
| logD: | 0.0571 |
| logSw: | -2.4681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.146 |
| InChI Key: | PJPBPUWVVUMUDD-UHFFFAOYSA-N |