2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(3-fluorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(3-fluorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(3-fluorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0485 |
| Compound Name: | 2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-[(3-fluorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 653 |
| Molecular Formula: | C26 H30 F N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CCCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cccc(c1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.464 |
| logD: | 1.5199 |
| logSw: | -4.0975 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.668 |
| InChI Key: | HWRGTSIVNOBKNR-UHFFFAOYSA-N |