methyl 2-{[5-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methoxy}benzoate
Chemical Structure Depiction of
methyl 2-{[5-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methoxy}benzoate
methyl 2-{[5-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methoxy}benzoate
Compound characteristics
| Compound ID: | Y503-3952 |
| Compound Name: | methyl 2-{[5-({[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methoxy}benzoate |
| Molecular Weight: | 462.47 |
| Molecular Formula: | C21 H20 F2 N4 O4 S |
| Smiles: | COC(c1ccccc1OCc1cc(/C=N/n2c(C(F)F)nnc2SC)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3808 |
| logD: | 3.3803 |
| logSw: | -3.652 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.995 |
| InChI Key: | ZTFOCJXNUYPXFR-UHFFFAOYSA-N |