2-(benzenesulfonyl)-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0289 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile |
| Molecular Weight: | 480.67 |
| Molecular Formula: | C25 H24 N2 O2 S3 |
| Smiles: | Cc1ccc(CSC(=C(/C#N)S(c2ccccc2)(=O)=O)\Nc2cccc(c2)SC)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.5445 |
| logD: | 6.5438 |
| logSw: | -5.8048 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | LLFGOECKYHCWGT-UHFFFAOYSA-N |