6-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0683 |
| Compound Name: | 6-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 598.37 |
| Molecular Formula: | C23 H25 Cl N4 O4 S |
| Salt: | 3HCl |
| Smiles: | CCN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cccc(c1C)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8775 |
| logD: | 4.8775 |
| logSw: | -4.528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.08 |
| InChI Key: | VXGDFLITFCHXNR-UHFFFAOYSA-N |