2-(4-phenylpiperazin-1-yl)-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-(4-phenylpiperazin-1-yl)-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid
2-(4-phenylpiperazin-1-yl)-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0644 |
| Compound Name: | 2-(4-phenylpiperazin-1-yl)-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid |
| Molecular Weight: | 640.03 |
| Molecular Formula: | C29 H30 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8344 |
| logD: | 3.8903 |
| logSw: | -5.5889 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.803 |
| InChI Key: | ZLFGKMLESCCCDD-UHFFFAOYSA-N |