3-ethoxy-4-(2-methylanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-ethoxy-4-(2-methylanilino)cyclobut-3-ene-1,2-dione
3-ethoxy-4-(2-methylanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0091 |
| Compound Name: | 3-ethoxy-4-(2-methylanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C13 H13 N O3 |
| Smiles: | CCOC1=C(C(C1=O)=O)Nc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 2.1808 |
| logD: | 2.1776 |
| logSw: | -2.6256 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.91 |
| InChI Key: | LSAUZPPIGWCFOH-UHFFFAOYSA-N |