6-[(4-ethylbenzene-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-[(4-ethylbenzene-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-[(4-ethylbenzene-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: | F447-0458 |
| Compound Name: | 6-[(4-ethylbenzene-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: | 649.04 |
| Molecular Formula: | C27 H33 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)CC(NC(C)C)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8327 |
| logD: | 1.8886 |
| logSw: | -4.3721 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.8 |
| InChI Key: | NXRNYDBTKXYBHU-UHFFFAOYSA-N |