3-(3,4-dimethylphenyl)-4-[3-(methylsulfanyl)anilino]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-4-[3-(methylsulfanyl)anilino]cyclobut-3-ene-1,2-dione
3-(3,4-dimethylphenyl)-4-[3-(methylsulfanyl)anilino]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0663 |
| Compound Name: | 3-(3,4-dimethylphenyl)-4-[3-(methylsulfanyl)anilino]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 323.41 |
| Molecular Formula: | C19 H17 N O2 S |
| Smiles: | Cc1ccc(cc1C)C1=C(C(C1=O)=O)Nc1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.609 |
| logD: | 4.6089 |
| logSw: | -4.3456 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | DZPNMEROCROILF-UHFFFAOYSA-N |