3-ethoxy-4-(3-methylanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-ethoxy-4-(3-methylanilino)cyclobut-3-ene-1,2-dione
3-ethoxy-4-(3-methylanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0222 |
| Compound Name: | 3-ethoxy-4-(3-methylanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C13 H13 N O3 |
| Smiles: | CCOC1=C(C(C1=O)=O)Nc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4225 |
| logD: | 2.4212 |
| logSw: | -2.8314 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.607 |
| InChI Key: | VVPGZPYOFVSPJN-UHFFFAOYSA-N |