3-(3-chloro-4-methylanilino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloro-4-methylanilino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
3-(3-chloro-4-methylanilino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0726 |
| Compound Name: | 3-(3-chloro-4-methylanilino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 325.79 |
| Molecular Formula: | C19 H16 Cl N O2 |
| Smiles: | Cc1ccc(cc1C)C1=C(C(C1=O)=O)Nc1ccc(C)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5382 |
| logD: | 5.5328 |
| logSw: | -6.0669 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | UNUOQDAKXUGUEL-UHFFFAOYSA-N |