2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitrophenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitrophenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitrophenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3009-4216 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitrophenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 536.84 |
| Molecular Formula: | C24 H13 Cl N4 O9 |
| Smiles: | C1Oc2ccc(cc2O1)C1C(C(N1c1ccc(cc1[N+]([O-])=O)[Cl])=O)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1064 |
| logD: | 4.1064 |
| logSw: | -4.763 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 126.132 |
| InChI Key: | YGFCPMZQLHOZJN-UHFFFAOYSA-N |