3-(2-ethylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2-ethylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(2-ethylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
Compound ID: | E511-0791 |
Compound Name: | 3-(2-ethylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
Molecular Weight: | 319.4 |
Molecular Formula: | C21 H21 N O2 |
Smiles: | CCc1ccccc1NC1=C(C(C1=O)=O)c1ccc(cc1)C(C)C |
Stereo: | ACHIRAL |
logP: | 5.344 |
logD: | 5.3438 |
logSw: | -5.438 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 35.197 |
InChI Key: | JAZBVVTYETVYSQ-UHFFFAOYSA-N |