2-cyano-N-phenyl-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-phenyl-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
2-cyano-N-phenyl-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0200 |
| Compound Name: | 2-cyano-N-phenyl-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide |
| Molecular Weight: | 584.56 |
| Molecular Formula: | C26 H18 F6 N2 O3 S2 |
| Smiles: | C(c1ccc(cc1)OC(F)(F)F)SC(=C(C#N)C(Nc1ccccc1)=O)SCc1ccc(cc1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 7.6607 |
| logD: | 7.6451 |
| logSw: | -6.0755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.988 |
| InChI Key: | JCBAUSIXTPBQCP-UHFFFAOYSA-N |