3-(3-chloro-4-methylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloro-4-methylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(3-chloro-4-methylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0922 |
| Compound Name: | 3-(3-chloro-4-methylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 339.82 |
| Molecular Formula: | C20 H18 Cl N O2 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)Nc1ccc(C)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9112 |
| logD: | 5.8832 |
| logSw: | -6.2698 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | JEQLTELHRBTOKC-UHFFFAOYSA-N |