2-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Chemical Structure Depiction of
2-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
2-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Compound characteristics
| Compound ID: | 6468-0694 |
| Compound Name: | 2-(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate |
| Molecular Weight: | 440.41 |
| Molecular Formula: | C25 H16 N2 O6 |
| Smiles: | CC(=O)Oc1ccc2c(c1)C(=O)OC(c1ccc3C(N(Cc4ccccc4)C(c3c1)=O)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 3.1617 |
| logD: | 3.1617 |
| logSw: | -3.5511 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.189 |
| InChI Key: | NUPCFKROPURSMP-UHFFFAOYSA-N |