6-(difluoromethyl)-4-(2-methylpropyl)-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)pyridine-3-carboxylic thioanhydride
Chemical Structure Depiction of
6-(difluoromethyl)-4-(2-methylpropyl)-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)pyridine-3-carboxylic thioanhydride
6-(difluoromethyl)-4-(2-methylpropyl)-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)pyridine-3-carboxylic thioanhydride
Compound characteristics
| Compound ID: | 8009-9867 |
| Compound Name: | 6-(difluoromethyl)-4-(2-methylpropyl)-5-[(methylsulfanyl)carbonyl]-2-(trifluoromethyl)pyridine-3-carboxylic thioanhydride |
| Molecular Weight: | 740.7 |
| Molecular Formula: | C28 H26 F10 N2 O4 S3 |
| Smiles: | [H]C(c1c(C(=O)SC)c(CC(C)C)c(C(=O)SC(c2c(CC(C)C)c(C(=O)SC)c(C([H])(F)F)nc2C(F)(F)F)=O)c(C(F)(F)F)n1)(F)F |
| Stereo: | ACHIRAL |
| logP: | 8.4466 |
| logD: | 8.4466 |
| logSw: | -5.9126 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 73.368 |
| InChI Key: | YOOUQCIEMPIVSM-UHFFFAOYSA-N |