methyl 5-{[4-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[4-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate
methyl 5-{[4-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | Y501-9856 |
| Compound Name: | methyl 5-{[4-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenoxy]methyl}furan-2-carboxylate |
| Molecular Weight: | 452.43 |
| Molecular Formula: | C19 H18 F2 N4 O5 S |
| Smiles: | COC(c1ccc(COc2ccc(/C=N/n3c(C(F)F)nnc3SC)cc2OC)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5688 |
| logD: | 2.5666 |
| logSw: | -2.8779 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.836 |
| InChI Key: | MMXMHYFEUNQAEV-UHFFFAOYSA-N |