2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y509-3593 |
| Compound Name: | 2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 428.43 |
| Molecular Formula: | C22 H15 F3 N2 O2 S |
| Smiles: | COc1ccc(C=O)cc1CSc1c(C#N)c(cc(C(F)(F)F)n1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6918 |
| logD: | 5.6918 |
| logSw: | -5.7345 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.288 |
| InChI Key: | KPOVJOZPYQLCMA-UHFFFAOYSA-N |