4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8004-3029 |
| Compound Name: | 4-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 422.83 |
| Molecular Formula: | C21 H15 Cl N4 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2c(C)nn(c3ccccc3)c2[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.0324 |
| logD: | 4.0324 |
| logSw: | -4.5404 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.256 |
| InChI Key: | FDGFRCJHFIDQET-UHFFFAOYSA-N |