3-(3-chloro-4-fluoroanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloro-4-fluoroanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione
3-(3-chloro-4-fluoroanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0957 |
| Compound Name: | 3-(3-chloro-4-fluoroanilino)-4-(4-methoxyphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 331.73 |
| Molecular Formula: | C17 H11 Cl F N O3 |
| Smiles: | COc1ccc(cc1)C1=C(C(C1=O)=O)Nc1ccc(c(c1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.8954 |
| logD: | 3.2761 |
| logSw: | -4.3617 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.438 |
| InChI Key: | MEXNTYRKLBYMIB-UHFFFAOYSA-N |