2-(4-{5-[6-(acetyloxy)-4-oxo-4H-3,1-benzoxazin-2-yl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Chemical Structure Depiction of
2-(4-{5-[6-(acetyloxy)-4-oxo-4H-3,1-benzoxazin-2-yl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
2-(4-{5-[6-(acetyloxy)-4-oxo-4H-3,1-benzoxazin-2-yl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Compound characteristics
| Compound ID: | 8008-5100 |
| Compound Name: | 2-(4-{5-[6-(acetyloxy)-4-oxo-4H-3,1-benzoxazin-2-yl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate |
| Molecular Weight: | 629.54 |
| Molecular Formula: | C34 H19 N3 O10 |
| Smiles: | CC(=O)Oc1ccc2c(c1)C(=O)OC(c1ccc(cc1)N1C(c3ccc(cc3C1=O)C1=Nc3ccc(cc3C(=O)O1)OC(C)=O)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 2.9453 |
| logD: | 2.9453 |
| logSw: | -3.5702 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 130.276 |
| InChI Key: | JFADAJFHDRVJDZ-UHFFFAOYSA-N |