3-(2,4-dimethylanilino)-4-ethoxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(2,4-dimethylanilino)-4-ethoxycyclobut-3-ene-1,2-dione
3-(2,4-dimethylanilino)-4-ethoxycyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0099 |
| Compound Name: | 3-(2,4-dimethylanilino)-4-ethoxycyclobut-3-ene-1,2-dione |
| Molecular Weight: | 245.28 |
| Molecular Formula: | C14 H15 N O3 |
| Smiles: | CCOC1=C(C(C1=O)=O)Nc1ccc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 2.8685 |
| logD: | 2.8637 |
| logSw: | -2.9642 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.91 |
| InChI Key: | XCDHPEMPAVCILF-UHFFFAOYSA-N |