2-[2-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[2-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3009-4217 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 521.87 |
| Molecular Formula: | C25 H16 Cl N3 O8 |
| Smiles: | COc1ccc(cc1[Cl])N1C(C(C1=O)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0963 |
| logD: | 4.0963 |
| logSw: | -4.5435 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.983 |
| InChI Key: | DLLLYFYQCCVRMJ-UHFFFAOYSA-N |