2-(benzenesulfonyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0293 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C23 H19 F N2 O2 S3 |
| Smiles: | CSc1cccc(c1)N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.2074 |
| logD: | 5.2067 |
| logSw: | -5.1146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | LPALNBLNTOOHOI-UHFFFAOYSA-N |