2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4334-0107 |
| Compound Name: | 2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 443.37 |
| Molecular Formula: | C23 H13 N3 O7 |
| Smiles: | COc1ccc(cc1N1C(c2ccc(cc2C1=O)C1=Nc2ccccc2C(=O)O1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3253 |
| logD: | 3.3253 |
| logSw: | -3.9734 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.538 |
| InChI Key: | WEIYMNDMKCDMTF-UHFFFAOYSA-N |