2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-bromo-3-methylphenyl)-4-oxoazetidin-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-bromo-3-methylphenyl)-4-oxoazetidin-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-bromo-3-methylphenyl)-4-oxoazetidin-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3009-4124 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-bromo-3-methylphenyl)-4-oxoazetidin-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 550.32 |
| Molecular Formula: | C25 H16 Br N3 O7 |
| Smiles: | Cc1cc(ccc1[Br])N1C(C(C1=O)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8631 |
| logD: | 3.8631 |
| logSw: | -4.3659 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.051 |
| InChI Key: | NAIVPIYIRJDPKF-UHFFFAOYSA-N |