3-[4-(4-fluorophenyl)-2-oxobut-3-en-1-ylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
3-[4-(4-fluorophenyl)-2-oxobut-3-en-1-ylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
3-[4-(4-fluorophenyl)-2-oxobut-3-en-1-ylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 8010-3416 |
| Compound Name: | 3-[4-(4-fluorophenyl)-2-oxobut-3-en-1-ylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 309.29 |
| Molecular Formula: | C18 H12 F N O3 |
| Smiles: | C(=C/c1ccc(cc1)F)\C(/C=C1/C(=O)Oc2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7877 |
| logD: | 3.7862 |
| logSw: | -4.3482 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.903 |
| InChI Key: | IJMNYENKQYXUIY-UHFFFAOYSA-N |