2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3009-4111 |
| Compound Name: | 2-[1-(4-bromophenyl)-2-(4-butoxyphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 564.39 |
| Molecular Formula: | C27 H22 Br N3 O6 |
| Smiles: | CCCCOc1ccc(cc1)C1C(C(N1c1ccc(cc1)[Br])=O)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0486 |
| logD: | 6.0486 |
| logSw: | -5.4352 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.655 |
| InChI Key: | HUVNXLBAVAQCIH-UHFFFAOYSA-N |