4-chloro-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitro-N-pentylbenzamide
Chemical Structure Depiction of
4-chloro-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitro-N-pentylbenzamide
4-chloro-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitro-N-pentylbenzamide
Compound characteristics
| Compound ID: | V022-2187 |
| Compound Name: | 4-chloro-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitro-N-pentylbenzamide |
| Molecular Weight: | 564.02 |
| Molecular Formula: | C29 H27 Cl F N5 O4 |
| Smiles: | CCCCCN(CC(Nc1cc(c2ccccc2)nn1c1ccc(cc1)F)=O)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6107 |
| logD: | 6.6107 |
| logSw: | -6.2121 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.821 |
| InChI Key: | UWKOGPIRNPTEFZ-UHFFFAOYSA-N |