5-(hydroxymethyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Chemical Structure Depiction of
5-(hydroxymethyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-carbothioamide
5-(hydroxymethyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Compound characteristics
| Compound ID: | C200-3110 |
| Compound Name: | 5-(hydroxymethyl)-8-methyl-2-{[3-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-carbothioamide |
| Molecular Weight: | 393.39 |
| Molecular Formula: | C18 H14 F3 N3 O2 S |
| Smiles: | Cc1c2c(C=C(/C(=N/c3cccc(c3)C(F)(F)F)O2)C(N)=S)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.6661 |
| logD: | 2.666 |
| logSw: | -2.9404 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.912 |
| InChI Key: | OJFSKDDMDPLSEN-UHFFFAOYSA-N |