3-(2,5-diethoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2,5-diethoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(2,5-diethoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0913 |
| Compound Name: | 3-(2,5-diethoxyanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C23 H25 N O4 |
| Smiles: | CCOc1ccc(c(c1)NC1=C(C(C1=O)=O)c1ccc(cc1)C(C)C)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.3368 |
| logD: | 5.269 |
| logSw: | -5.3979 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.53 |
| InChI Key: | LHQMMMJHTIZNOU-UHFFFAOYSA-N |