[5-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methyl acetate
Chemical Structure Depiction of
[5-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methyl acetate
[5-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methyl acetate
Compound characteristics
| Compound ID: | Y501-7182 |
| Compound Name: | [5-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methyl acetate |
| Molecular Weight: | 356.35 |
| Molecular Formula: | C14 H14 F2 N4 O3 S |
| Smiles: | CC(=O)OCc1cc(/C=N/n2c(C(F)F)nnc2S)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3008 |
| logD: | 0.555 |
| logSw: | -2.0372 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.211 |
| InChI Key: | LNFWVGLDFZDPNJ-UHFFFAOYSA-N |