4-[({4-[(3,4-diethoxyphenyl)methoxy]phenyl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({4-[(3,4-diethoxyphenyl)methoxy]phenyl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
4-[({4-[(3,4-diethoxyphenyl)methoxy]phenyl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8663 |
| Compound Name: | 4-[({4-[(3,4-diethoxyphenyl)methoxy]phenyl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 466.48 |
| Molecular Formula: | C21 H21 F3 N4 O3 S |
| Smiles: | CCOc1ccc(COc2ccc(/C=N/n3c(C(F)(F)F)nnc3S)cc2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.5621 |
| logD: | 2.8163 |
| logSw: | -3.6709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.998 |
| InChI Key: | SWJARKDLJQLQGN-UHFFFAOYSA-N |