6-[(2-chlorobenzene-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-[(2-chlorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(2-chlorobenzene-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: | F447-0537 |
| Compound Name: | 6-[(2-chlorobenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 655.43 |
| Molecular Formula: | C25 H28 Cl N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.033 |
| logD: | 1.0889 |
| logSw: | -4.1464 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.668 |
| InChI Key: | XYIKRBWMMGJNSC-UHFFFAOYSA-N |