2-(benzenesulfonyl)-3-(2-fluoroanilino)-3-{[(4-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(benzenesulfonyl)-3-(2-fluoroanilino)-3-{[(4-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
2-(benzenesulfonyl)-3-(2-fluoroanilino)-3-{[(4-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile
Compound characteristics
Compound ID: | C644-0007 |
Compound Name: | 2-(benzenesulfonyl)-3-(2-fluoroanilino)-3-{[(4-fluorophenyl)methyl]sulfanyl}prop-2-enenitrile |
Molecular Weight: | 442.5 |
Molecular Formula: | C22 H16 F2 N2 O2 S2 |
Smiles: | C(c1ccc(cc1)F)SC(=C(/C#N)S(c1ccccc1)(=O)=O)\Nc1ccccc1F |
Stereo: | ACHIRAL |
logP: | 4.786 |
logD: | 4.7523 |
logSw: | -4.7905 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.789 |
InChI Key: | IPJUJXZXZQHKPU-UHFFFAOYSA-N |