3-(4-bromo-3-methylanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-bromo-3-methylanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione
3-(4-bromo-3-methylanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0806 |
| Compound Name: | 3-(4-bromo-3-methylanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 372.22 |
| Molecular Formula: | C18 H14 Br N O3 |
| Smiles: | Cc1cc(ccc1[Br])NC1=C(C(C1=O)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3398 |
| logD: | 4.328 |
| logSw: | -4.4006 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.438 |
| InChI Key: | QCKYHAJXZRMSAZ-UHFFFAOYSA-N |