3-anilino-2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
3-anilino-2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
3-anilino-2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0047 |
| Compound Name: | 3-anilino-2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile |
| Molecular Weight: | 458.96 |
| Molecular Formula: | C22 H16 Cl F N2 O2 S2 |
| Smiles: | C(c1c(cccc1[Cl])F)SC(=C(/C#N)S(c1ccccc1)(=O)=O)\Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5523 |
| logD: | 5.552 |
| logSw: | -6.0261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | KQLKLOIPWDJTCO-UHFFFAOYSA-N |