3-(5-chloro-2,4-dimethoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(5-chloro-2,4-dimethoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(5-chloro-2,4-dimethoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0769 |
| Compound Name: | 3-(5-chloro-2,4-dimethoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 385.85 |
| Molecular Formula: | C21 H20 Cl N O4 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)Nc1cc(c(cc1OC)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1432 |
| logD: | 4.5441 |
| logSw: | -5.8733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.457 |
| InChI Key: | CCBKVYCVRZSYLJ-UHFFFAOYSA-N |