3-[3-(methylsulfanyl)anilino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[3-(methylsulfanyl)anilino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-[3-(methylsulfanyl)anilino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0858 |
| Compound Name: | 3-[3-(methylsulfanyl)anilino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 337.44 |
| Molecular Formula: | C20 H19 N O2 S |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)Nc1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.982 |
| logD: | 4.9815 |
| logSw: | -4.6655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | OMIGNNHRIMLFMW-UHFFFAOYSA-N |