5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)-1H-isoindole-1,3(2H)-dione
5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4334-1583 |
| Compound Name: | 5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(3-methylbutyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C23 H22 N2 O6 |
| Smiles: | CC(C)CCN1C(c2ccc(cc2C1=O)C1=Nc2cc(c(cc2C(=O)O1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5818 |
| logD: | 3.5818 |
| logSw: | -3.7623 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.949 |
| InChI Key: | NITBATPOEKSQQH-UHFFFAOYSA-N |