4-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8010-2163 |
| Compound Name: | 4-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | CC1/C(=C/c2ccc(c3cc(ccc3O)[N+]([O-])=O)o2)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2363 |
| logD: | 3.9978 |
| logSw: | -4.8092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.086 |
| InChI Key: | SFSDWADAZQOLIY-UHFFFAOYSA-N |