methyl 5-{[3-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[3-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]methyl}furan-2-carboxylate
methyl 5-{[3-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | Y501-9855 |
| Compound Name: | methyl 5-{[3-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]methyl}furan-2-carboxylate |
| Molecular Weight: | 422.41 |
| Molecular Formula: | C18 H16 F2 N4 O4 S |
| Smiles: | COC(c1ccc(COc2cccc(/C=N/n3c(C(F)F)nnc3SC)c2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8183 |
| logD: | 2.8154 |
| logSw: | -3.1657 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.119 |
| InChI Key: | PFOKHIZEEJVFEQ-UHFFFAOYSA-N |