3-{[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]carbamoyl}phenyl acetate
Chemical Structure Depiction of
3-{[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]carbamoyl}phenyl acetate
3-{[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]carbamoyl}phenyl acetate
Compound characteristics
| Compound ID: | 7647-0338 |
| Compound Name: | 3-{[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]carbamoyl}phenyl acetate |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C23 H16 N2 O5 |
| Smiles: | CC(=O)Oc1cccc(c1)C(Nc1ccc(cc1)C1=Nc2ccccc2C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9912 |
| logD: | 2.9906 |
| logSw: | -3.8039 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.028 |
| InChI Key: | PGGWQTWPCKIBHO-UHFFFAOYSA-N |