2-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-6-(2-methylbenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-6-(2-methylbenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-6-(2-methylbenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0135 |
| Compound Name: | 2-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-6-(2-methylbenzamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 607.94 |
| Molecular Formula: | C29 H27 F N4 O3 |
| Salt: | 3HCl |
| Smiles: | Cc1ccccc1C(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)Cc1ccccc1F)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7787 |
| logD: | 2.8346 |
| logSw: | -5.4469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.525 |
| InChI Key: | AGTHNDGRGBOWET-UHFFFAOYSA-N |