3-(4-chlorophenyl)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0110 |
| Compound Name: | 3-(4-chlorophenyl)-4-(3,5-dimethylanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 311.77 |
| Molecular Formula: | C18 H14 Cl N O2 |
| Smiles: | Cc1cc(C)cc(c1)NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4705 |
| logD: | 4.4704 |
| logSw: | -4.5476 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | KHEWMPGWLCZKGR-UHFFFAOYSA-N |