2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2,6-diethylanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2,6-diethylanilino)prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2,6-diethylanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0262 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2,6-diethylanilino)prop-2-enenitrile |
| Molecular Weight: | 497.08 |
| Molecular Formula: | C26 H25 Cl N2 O2 S2 |
| Smiles: | CCc1cccc(CC)c1N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7931 |
| logD: | 6.793 |
| logSw: | -6.5185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.091 |
| InChI Key: | YEHLZEVKAKKBFO-UHFFFAOYSA-N |