3-(4-methylphenyl)-4-[3-(methylsulfanyl)anilino]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-methylphenyl)-4-[3-(methylsulfanyl)anilino]cyclobut-3-ene-1,2-dione
3-(4-methylphenyl)-4-[3-(methylsulfanyl)anilino]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0132 |
| Compound Name: | 3-(4-methylphenyl)-4-[3-(methylsulfanyl)anilino]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 309.38 |
| Molecular Formula: | C18 H15 N O2 S |
| Smiles: | Cc1ccc(cc1)C1=C(C(C1=O)=O)Nc1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.0671 |
| logD: | 4.0667 |
| logSw: | -4.0427 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | DDPBHBICPIYBLQ-UHFFFAOYSA-N |