2-[4-(4-nitrophenoxy)phenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Chemical Structure Depiction of
2-[4-(4-nitrophenoxy)phenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
2-[4-(4-nitrophenoxy)phenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Compound characteristics
| Compound ID: | 2372-3540 |
| Compound Name: | 2-[4-(4-nitrophenoxy)phenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C22 H14 N2 O7 |
| Smiles: | CC(=O)Oc1ccc2c(c1)C(=O)OC(c1ccc(cc1)Oc1ccc(cc1)[N+]([O-])=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 3.8267 |
| logD: | 3.8267 |
| logSw: | -4.0885 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.066 |
| InChI Key: | RXRBOXYRNUBOOQ-UHFFFAOYSA-N |