3-(4-bromo-3-methylanilino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-bromo-3-methylanilino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
3-(4-bromo-3-methylanilino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0540 |
| Compound Name: | 3-(4-bromo-3-methylanilino)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 370.24 |
| Molecular Formula: | C19 H16 Br N O2 |
| Smiles: | Cc1ccc(cc1C)C1=C(C(C1=O)=O)Nc1ccc(c(C)c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.3226 |
| logD: | 5.3203 |
| logSw: | -5.4051 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | XUCBSCUEYIXKRW-UHFFFAOYSA-N |