2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0292 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(4-methylphenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile |
| Molecular Weight: | 466.64 |
| Molecular Formula: | C24 H22 N2 O2 S3 |
| Smiles: | Cc1ccc(CSC(=C(/C#N)S(c2ccccc2)(=O)=O)\Nc2cccc(c2)SC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6017 |
| logD: | 5.601 |
| logSw: | -5.5204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | JMGUZVQNAAMAMS-UHFFFAOYSA-N |