6-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
Compound ID: | F447-0595 |
Compound Name: | 6-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
Molecular Weight: | 656.96 |
Molecular Formula: | C25 H27 F2 N5 O5 S |
Salt: | 3HCl |
Smiles: | CCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccc(c(c1)F)F)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1509 |
logD: | 1.2068 |
logSw: | -4.0288 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 108.668 |
InChI Key: | NMPBDNWDCACXEW-UHFFFAOYSA-N |