methyl 5-{[2-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenoxy]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[2-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenoxy]methyl}furan-2-carboxylate
methyl 5-{[2-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenoxy]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | Y508-9856 |
| Compound Name: | methyl 5-{[2-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenoxy]methyl}furan-2-carboxylate |
| Molecular Weight: | 438.41 |
| Molecular Formula: | C18 H16 F2 N4 O5 S |
| Smiles: | COC(c1ccc(COc2c(/C=N/n3c(C(F)F)nnc3S)cccc2OC)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3708 |
| logD: | 1.6249 |
| logSw: | -2.7164 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.397 |
| InChI Key: | OLPOVKZGLQGZHG-UHFFFAOYSA-N |