3-(3-fluoroanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-fluoroanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
3-(3-fluoroanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0900 |
| Compound Name: | 3-(3-fluoroanilino)-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 338.29 |
| Molecular Formula: | C18 H11 F N2 O4 |
| Smiles: | C1C(Nc2ccc(cc2O1)C1=C(C(C1=O)=O)Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2939 |
| logD: | 2.2832 |
| logSw: | -3.0265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.165 |
| InChI Key: | FIEDKJOKIBGAGV-UHFFFAOYSA-N |