5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)-1H-isoindole-1,3(2H)-dione
5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2922-3789 |
| Compound Name: | 5-(6-bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 477.27 |
| Molecular Formula: | C23 H13 Br N2 O5 |
| Smiles: | COc1cccc(c1)N1C(c2ccc(cc2C1=O)C1=Nc2ccc(cc2C(=O)O1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4669 |
| logD: | 4.4669 |
| logSw: | -4.4905 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.371 |
| InChI Key: | YKMIYHDAXOTVNP-UHFFFAOYSA-N |