4-{[4-(hexyloxy)phenyl]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(hexyloxy)phenyl]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(hexyloxy)phenyl]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-7383 |
| Compound Name: | 4-{[4-(hexyloxy)phenyl]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C28 H27 N3 O4 |
| Smiles: | CCCCCCOc1ccc(/C=C2/C(c3ccccc3)=NN(C2=O)c2ccc(cc2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1018 |
| logD: | 7.1018 |
| logSw: | -5.7244 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.941 |
| InChI Key: | ZNMOATMWDRHHSI-UHFFFAOYSA-N |