6-[(3-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid
Chemical Structure Depiction of
6-[(3-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid
6-[(3-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0675 |
| Compound Name: | 6-[(3-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid |
| Molecular Weight: | 635.01 |
| Molecular Formula: | C26 H31 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cccc(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2126 |
| logD: | 1.2685 |
| logSw: | -3.9113 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.668 |
| InChI Key: | IGJXYONICWRXFU-UHFFFAOYSA-N |