6-[(3,5-dimethylbenzene-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-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid
6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0728 |
| Compound Name: | 6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid |
| Molecular Weight: | 649.04 |
| Molecular Formula: | C27 H33 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cc(C)cc(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.655 |
| logD: | 1.7109 |
| logSw: | -4.2219 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.8 |
| InChI Key: | UBFQNUVQEKBMTA-UHFFFAOYSA-N |