6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid
Chemical Structure Depiction of
6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid
6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0564 |
| Compound Name: | 6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid |
| Molecular Weight: | 653 |
| Molecular Formula: | C26 H30 F N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cc(ccc1C)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3046 |
| logD: | 1.3605 |
| logSw: | -4.1395 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.8 |
| InChI Key: | QJPWDKCJEXACFN-UHFFFAOYSA-N |