2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0299 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-3-[3-(methylsulfanyl)anilino]prop-2-enenitrile |
| Molecular Weight: | 487.06 |
| Molecular Formula: | C23 H19 Cl N2 O2 S3 |
| Smiles: | CSc1cccc(c1)N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.773 |
| logD: | 5.7723 |
| logSw: | -6.055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | GEDOIBCRECVWFM-UHFFFAOYSA-N |