2-[2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3061-4278 |
| Compound Name: | 2-[2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 586.78 |
| Molecular Formula: | C25 H17 Br Cl N3 O7 |
| Smiles: | COc1ccc(cc1C1C(C(N1c1ccc(c(c1)[Cl])OC)=O)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0546 |
| logD: | 5.0546 |
| logSw: | -5.2374 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.498 |
| InChI Key: | JKQNANBCXJFCAG-UHFFFAOYSA-N |