3-ethoxy-4-(3-fluoro-4-methylanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-ethoxy-4-(3-fluoro-4-methylanilino)cyclobut-3-ene-1,2-dione
3-ethoxy-4-(3-fluoro-4-methylanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0161 |
| Compound Name: | 3-ethoxy-4-(3-fluoro-4-methylanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 249.24 |
| Molecular Formula: | C13 H12 F N O3 |
| Smiles: | CCOC1=C(C(C1=O)=O)Nc1ccc(C)c(c1)F |
| Stereo: | ACHIRAL |
| logP: | 2.7123 |
| logD: | 2.5626 |
| logSw: | -2.9183 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.607 |
| InChI Key: | VIFSYVQLTCSHMA-UHFFFAOYSA-N |