3-(4-chlorophenyl)-4-(3,4-dimethoxyanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-(3,4-dimethoxyanilino)cyclobut-3-ene-1,2-dione
3-(4-chlorophenyl)-4-(3,4-dimethoxyanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0006 |
| Compound Name: | 3-(4-chlorophenyl)-4-(3,4-dimethoxyanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 343.76 |
| Molecular Formula: | C18 H14 Cl N O4 |
| Smiles: | COc1ccc(cc1OC)NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3125 |
| logD: | 3.3067 |
| logSw: | -3.6822 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.155 |
| InChI Key: | CNOOBKXSHDLUMY-UHFFFAOYSA-N |