4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0374 |
| Compound Name: | 4-fluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C17 H26 F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCCN(CC(N1CCNCC1)=O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8594 |
| logD: | 1.2999 |
| logSw: | -2.7307 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.945 |
| InChI Key: | KOQMYOZQUVOXKR-UHFFFAOYSA-N |