6-[(benzenesulfonyl)amino]-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid
Chemical Structure Depiction of
6-[(benzenesulfonyl)amino]-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid
6-[(benzenesulfonyl)amino]-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid
Compound characteristics
Compound ID: | F447-0090 |
Compound Name: | 6-[(benzenesulfonyl)amino]-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid |
Molecular Weight: | 635.01 |
Molecular Formula: | C26 H31 N5 O5 S |
Salt: | 3HCl |
Smiles: | CCCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccccc1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2857 |
logD: | 1.3416 |
logSw: | -3.9516 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 108.668 |
InChI Key: | VNQATFHHZWSTRP-UHFFFAOYSA-N |