2-[2-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
2-[2-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3009-4219 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-4-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(c2cccc(c2C1=O)[N+]([O-])=O)=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9187 |
| logD: | 2.9187 |
| logSw: | -3.8685 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.682 |
| InChI Key: | AZFMXUCBQPVHLE-UHFFFAOYSA-N |