3-ethoxy-4-(2-ethylanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-ethoxy-4-(2-ethylanilino)cyclobut-3-ene-1,2-dione
3-ethoxy-4-(2-ethylanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0054 |
| Compound Name: | 3-ethoxy-4-(2-ethylanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 245.28 |
| Molecular Formula: | C14 H15 N O3 |
| Smiles: | CCc1ccccc1NC1=C(C(C1=O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.8855 |
| logD: | 2.8838 |
| logSw: | -3.2049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.91 |
| InChI Key: | KLZRPWDEPWKEJX-UHFFFAOYSA-N |