3-(2,5-diethoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2,5-diethoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
3-(2,5-diethoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0451 |
| Compound Name: | 3-(2,5-diethoxyanilino)-4-phenylcyclobut-3-ene-1,2-dione |
| Molecular Weight: | 337.37 |
| Molecular Formula: | C20 H19 N O4 |
| Smiles: | CCOc1ccc(c(c1)NC1=C(C(C1=O)=O)c1ccccc1)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.8936 |
| logD: | 3.8257 |
| logSw: | -3.9155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.53 |
| InChI Key: | MLMXXJYXEMXEGV-UHFFFAOYSA-N |