3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0567 |
| Compound Name: | 3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 517.51 |
| Molecular Formula: | C18 H27 F2 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCCN(CCC(N1CCNCC1)=O)S(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3969 |
| logD: | 1.5689 |
| logSw: | -2.9523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.924 |
| InChI Key: | GSTFRKVTDFSHIV-UHFFFAOYSA-N |