2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2,4-dimethylanilino)prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2,4-dimethylanilino)prop-2-enenitrile
2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2,4-dimethylanilino)prop-2-enenitrile
Compound characteristics
| Compound ID: | C644-0138 |
| Compound Name: | 2-(benzenesulfonyl)-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(2,4-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: | 6.486 |
| logD: | 6.4855 |
| logSw: | -6.2549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.789 |
| InChI Key: | QXGGTZJSNAXUBO-UHFFFAOYSA-N |