5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 1502-0001 |
| Compound Name: | 5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C21 H15 N3 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5807 |
| logD: | 4.5806 |
| logSw: | -4.5456 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.538 |
| InChI Key: | VINKDOVSSKPILU-UHFFFAOYSA-N |