2-cyano-N-(4-fluorophenyl)-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-(4-fluorophenyl)-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-N-(4-fluorophenyl)-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0004 |
| Compound Name: | 2-cyano-N-(4-fluorophenyl)-3,3-bis{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H23 F N2 O S2 |
| Smiles: | Cc1ccccc1CSC(=C(C#N)C(Nc1ccc(cc1)F)=O)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 7.6544 |
| logD: | 7.1369 |
| logSw: | -5.7371 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | GMIJGFRJVJBKRG-UHFFFAOYSA-N |