6-[(4-methylbenzene-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-[(4-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(4-methylbenzene-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: | F447-0170 |
| Compound Name: | 6-[(4-methylbenzene-1-sulfonyl)amino]-2-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 635.01 |
| Molecular Formula: | C26 H31 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3074 |
| logD: | 1.3633 |
| logSw: | -3.9898 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.668 |
| InChI Key: | DXUJUKRVJPZOEO-UHFFFAOYSA-N |