4-{[4-(4-bromophenoxy)anilino]methylidene}-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(4-bromophenoxy)anilino]methylidene}-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(4-bromophenoxy)anilino]methylidene}-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3033 |
| Compound Name: | 4-{[4-(4-bromophenoxy)anilino]methylidene}-2-(4-nitrophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 547.29 |
| Molecular Formula: | C23 H14 Br F3 N4 O4 |
| Smiles: | C(=C1/C(C(F)(F)F)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O)\Nc1ccc(cc1)Oc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.1961 |
| logD: | 6.1893 |
| logSw: | -5.9714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.144 |
| InChI Key: | BIQHTOAIGXBUOM-MOSHPQCFSA-N |