N-butyl-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-butyl-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide
N-butyl-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | V026-9980 |
| Compound Name: | N-butyl-N-(2-{[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 541.58 |
| Molecular Formula: | C30 H28 F N5 O4 |
| Salt: | not_available |
| Smiles: | CCCCN(CC(Nc1cc(c2ccccc2)nn1c1ccc(cc1)F)=O)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4665 |
| logD: | 6.4665 |
| logSw: | -5.5745 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.595 |
| InChI Key: | XHLDPAKPLYCTLD-UHFFFAOYSA-N |