4-{[2-(hexyloxy)phenyl]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[2-(hexyloxy)phenyl]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{[2-(hexyloxy)phenyl]methylidene}-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8008-0690 |
| Compound Name: | 4-{[2-(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: | CCCCCCOc1ccccc1/C=C1/C(c2ccccc2)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.2849 |
| logD: | 7.2849 |
| logSw: | -5.724 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.028 |
| InChI Key: | MWTOPWWPENVKHS-UHFFFAOYSA-N |