2-cyano-N-(4-phenoxyphenyl)-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-(4-phenoxyphenyl)-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
2-cyano-N-(4-phenoxyphenyl)-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0009 |
| Compound Name: | 2-cyano-N-(4-phenoxyphenyl)-3,3-bis({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide |
| Molecular Weight: | 676.66 |
| Molecular Formula: | C32 H22 F6 N2 O4 S2 |
| Smiles: | C(c1ccc(cc1)OC(F)(F)F)SC(=C(C#N)C(Nc1ccc(cc1)Oc1ccccc1)=O)SCc1ccc(cc1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 9.5425 |
| logD: | 9.521 |
| logSw: | -6.1763 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.736 |
| InChI Key: | ALFANJNZMPOTST-UHFFFAOYSA-N |