6-[(2,5-dimethylbenzene-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-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(2,5-dimethylbenzene-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: | F447-0278 |
| Compound Name: | 6-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 649.04 |
| Molecular Formula: | C27 H33 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6497 |
| logD: | 1.7056 |
| logSw: | -4.1189 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.668 |
| InChI Key: | RSCURNSFGRXNQP-UHFFFAOYSA-N |