4-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5(4H)-one
4-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8006-9318 |
| Compound Name: | 4-[(1-acetyl-3-phenyl-1H-pyrazol-4-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 517.71 |
| Molecular Formula: | C21 H13 Cl I N3 O3 |
| Smiles: | CC(n1cc(/C=C2/C(=O)OC(c3cc(ccc3[Cl])I)=N2)c(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7244 |
| logD: | 4.7244 |
| logSw: | -5.0095 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.944 |
| InChI Key: | OZQFTDTXACBXGT-UHFFFAOYSA-N |