2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2,5-dimethylanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2,5-dimethylanilino)prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2,5-dimethylanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0347 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2,5-dimethylanilino)prop-2-enenitrile |
| Molecular Weight: | 487.01 |
| Molecular Formula: | C24 H20 Cl F N2 O2 S2 |
| Smiles: | Cc1ccc(C)c(c1)N/C(=C(/C#N)S(c1ccccc1)(=O)=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.0446 |
| logD: | 6.0444 |
| logSw: | -6.1225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.789 |
| InChI Key: | UEJPDMSMTHKMBP-UHFFFAOYSA-N |