methyl 5-{[3-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[3-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]methyl}furan-2-carboxylate
methyl 5-{[3-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | Y508-9990 |
| Compound Name: | methyl 5-{[3-({[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]methyl}furan-2-carboxylate |
| Molecular Weight: | 426.37 |
| Molecular Formula: | C17 H13 F3 N4 O4 S |
| Smiles: | COC(c1ccc(COc2cccc(/C=N/n3c(C(F)(F)F)nnc3S)c2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9056 |
| logD: | 2.1598 |
| logSw: | -3.1606 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.593 |
| InChI Key: | KELJEKSPMBIBID-UHFFFAOYSA-N |