3-(3-ethylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-ethylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(3-ethylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0871 |
| Compound Name: | 3-(3-ethylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C21 H21 N O2 |
| Smiles: | CCc1cccc(c1)NC1=C(C(C1=O)=O)c1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.3115 |
| logD: | 5.3113 |
| logSw: | -5.375 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | RKJSVSYKYKHAGC-UHFFFAOYSA-N |