3-(4-bromo-3-methylanilino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-bromo-3-methylanilino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
3-(4-bromo-3-methylanilino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E882-0526 |
| Compound Name: | 3-(4-bromo-3-methylanilino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 384.27 |
| Molecular Formula: | C20 H18 Br N O2 |
| Smiles: | Cc1cc(C)c(cc1C)C1=C(C(C1=O)=O)Nc1ccc(c(C)c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7683 |
| logD: | 5.7605 |
| logSw: | -5.5365 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | JVBUFFGMHHHKTP-UHFFFAOYSA-N |