N-butyl-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-butyl-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitrobenzamide
N-butyl-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V024-4328 |
| Compound Name: | N-butyl-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitrobenzamide |
| Molecular Weight: | 515.54 |
| Molecular Formula: | C28 H26 F N5 O4 |
| Smiles: | CCCCN(CC(Nc1cc(c2ccccc2)nn1c1ccc(cc1)F)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.694 |
| logD: | 5.694 |
| logSw: | -5.3279 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.122 |
| InChI Key: | BGLCJGQXMXQYBV-UHFFFAOYSA-N |