3-[3-(methylsulfanyl)anilino]-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[3-(methylsulfanyl)anilino]-4-phenylcyclobut-3-ene-1,2-dione
3-[3-(methylsulfanyl)anilino]-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0397 |
| Compound Name: | 3-[3-(methylsulfanyl)anilino]-4-phenylcyclobut-3-ene-1,2-dione |
| Molecular Weight: | 295.36 |
| Molecular Formula: | C17 H13 N O2 S |
| Smiles: | CSc1cccc(c1)NC1=C(C(C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5387 |
| logD: | 3.5383 |
| logSw: | -3.7898 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | QSGJGGGPMOYAHP-UHFFFAOYSA-N |