6-[(2-chlorobenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(2-chlorobenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(2-chlorobenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0536 |
| Compound Name: | 6-[(2-chlorobenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 655.43 |
| Molecular Formula: | C25 H28 Cl N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0509 |
| logD: | 1.1068 |
| logSw: | -4.1014 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.8 |
| InChI Key: | UUZSCLCIATZDFY-UHFFFAOYSA-N |