3-(4-bromo-3-methylanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-bromo-3-methylanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-(4-bromo-3-methylanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0118 |
| Compound Name: | 3-(4-bromo-3-methylanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 376.63 |
| Molecular Formula: | C17 H11 Br Cl N O2 |
| Smiles: | Cc1cc(ccc1[Br])NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9521 |
| logD: | 4.9403 |
| logSw: | -5.1138 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | AJQGURYIFMJCIW-UHFFFAOYSA-N |