2-{3-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenoxy]phenyl}-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
2-{3-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenoxy]phenyl}-4H-3,1-benzoxazin-4-one
2-{3-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenoxy]phenyl}-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8005-9804 |
| Compound Name: | 2-{3-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenoxy]phenyl}-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 460.45 |
| Molecular Formula: | C28 H16 N2 O5 |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1ccc(cc1)Oc1cccc(c1)C1=Nc3ccccc3C(=O)O1)=N2 |
| Stereo: | ACHIRAL |
| logP: | 4.8701 |
| logD: | 4.8701 |
| logSw: | -4.9458 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.88 |
| InChI Key: | APSUUMUQKODXSK-UHFFFAOYSA-N |