3-(2-bromo-4-methylanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2-bromo-4-methylanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-(2-bromo-4-methylanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0096 |
| Compound Name: | 3-(2-bromo-4-methylanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 376.63 |
| Molecular Formula: | C17 H11 Br Cl N O2 |
| Smiles: | Cc1ccc(c(c1)[Br])NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8823 |
| logD: | 4.8787 |
| logSw: | -4.8881 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.197 |
| InChI Key: | ZAJKRISIMBWUMS-UHFFFAOYSA-N |