3,3-bis{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(3-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(3-methylphenyl)prop-2-enamide
3,3-bis{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(3-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0161 |
| Compound Name: | 3,3-bis{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(3-methylphenyl)prop-2-enamide |
| Molecular Weight: | 535.46 |
| Molecular Formula: | C25 H18 Cl2 F2 N2 O S2 |
| Smiles: | Cc1cccc(c1)NC(C(C#N)=C(SCc1ccc(cc1[Cl])F)SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 8.1843 |
| logD: | 8.174 |
| logSw: | -6.4688 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | ZBVPJYJWNDDRCI-UHFFFAOYSA-N |