4-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2150-0828 |
| Compound Name: | 4-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 444.4 |
| Molecular Formula: | C23 H16 N4 O6 |
| Smiles: | CC1/C(=C/c2ccc(cc2)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.523 |
| logD: | 4.523 |
| logSw: | -4.5515 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.883 |
| InChI Key: | ABKYLIUHKASZEZ-UHFFFAOYSA-N |