3-[3-(methylsulfanyl)anilino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[3-(methylsulfanyl)anilino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
3-[3-(methylsulfanyl)anilino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E959-0959 |
| Compound Name: | 3-[3-(methylsulfanyl)anilino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C21 H19 N O2 S |
| Smiles: | CSc1cccc(c1)NC1=C(C(C1=O)=O)c1ccc2CCCCc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9962 |
| logD: | 4.9961 |
| logSw: | -4.7279 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.815 |
| InChI Key: | IDQUXQLLUDDEDM-UHFFFAOYSA-N |