2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2,4,6-trimethylanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2,4,6-trimethylanilino)prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2,4,6-trimethylanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0359 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-3-(2,4,6-trimethylanilino)prop-2-enenitrile |
| Molecular Weight: | 483.05 |
| Molecular Formula: | C25 H23 Cl N2 O2 S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.2445 |
| logD: | 6.2432 |
| logSw: | -6.1027 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.091 |
| InChI Key: | CIMHORQKHKMYBY-UHFFFAOYSA-N |