2-[3-(3,4-dimethylbenzoyl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-(3,4-dimethylbenzoyl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[3-(3,4-dimethylbenzoyl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-7558 |
| Compound Name: | 2-[3-(3,4-dimethylbenzoyl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C23 H16 N2 O5 |
| Smiles: | Cc1ccc(cc1C)C(c1cccc(c1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1158 |
| logD: | 5.1158 |
| logSw: | -5.0291 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.728 |
| InChI Key: | WQRROGYIUQVVCX-UHFFFAOYSA-N |