2-cyano-3,3-bis{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3,3-bis{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)prop-2-enamide
2-cyano-3,3-bis{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)prop-2-enamide
Compound characteristics
Compound ID: | K291-0160 |
Compound Name: | 2-cyano-3,3-bis{[(4-fluorophenyl)methyl]sulfanyl}-N-(3-methylphenyl)prop-2-enamide |
Molecular Weight: | 466.57 |
Molecular Formula: | C25 H20 F2 N2 O S2 |
Smiles: | Cc1cccc(c1)NC(C(C#N)=C(SCc1ccc(cc1)F)SCc1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 5.888 |
logD: | 5.8777 |
logSw: | -5.4267 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.114 |
InChI Key: | VZIXCAVQVAKNDY-UHFFFAOYSA-N |