3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0663 |
| Compound Name: | 3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 610.56 |
| Molecular Formula: | C22 H26 F2 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1NS(c1ccc(c(c1)F)F)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2451 |
| logD: | 0.0868 |
| logSw: | -3.554 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.875 |
| InChI Key: | USXBULIGAKSPNC-UHFFFAOYSA-N |