3-(4-chlorophenyl)-4-(2,5-dimethylanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)cyclobut-3-ene-1,2-dione
3-(4-chlorophenyl)-4-(2,5-dimethylanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0088 |
| Compound Name: | 3-(4-chlorophenyl)-4-(2,5-dimethylanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 311.77 |
| Molecular Formula: | C18 H14 Cl N O2 |
| Smiles: | Cc1ccc(C)c(c1)NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1421 |
| logD: | 4.1418 |
| logSw: | -4.3735 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.197 |
| InChI Key: | NXZVPADFRVYNBJ-UHFFFAOYSA-N |