3-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
3-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0629 |
| Compound Name: | 3-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C21 H21 N O5 |
| Smiles: | Cc1ccc(cc1C)C1=C(C(C1=O)=O)Nc1cc(c(c(c1)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5286 |
| logD: | 3.5182 |
| logSw: | -3.5962 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.872 |
| InChI Key: | BLJWWAXLRLBNAT-UHFFFAOYSA-N |