2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitrophenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-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]-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitrophenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3061-4256 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-chloro-2-nitrophenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 629.62 |
| Molecular Formula: | C24 H10 Cl5 N3 O7 |
| Smiles: | C1Oc2ccc(cc2O1)C1C(C(N1c1ccc(cc1[N+]([O-])=O)[Cl])=O)N1C(c2c(C1=O)c(c(c(c2[Cl])[Cl])[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.263 |
| logD: | 5.263 |
| logSw: | -6.9705 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.751 |
| InChI Key: | DUTOCUBHOHBWPB-UHFFFAOYSA-N |