4-[2-(3,4-diethoxyphenyl)ethyl]-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[2-(3,4-diethoxyphenyl)ethyl]-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
4-[2-(3,4-diethoxyphenyl)ethyl]-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-9871 |
| Compound Name: | 4-[2-(3,4-diethoxyphenyl)ethyl]-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C22 H23 F4 N3 O3 S |
| Smiles: | CCOc1ccc(CCn2c(c3cccc(c3)OC(C(F)F)(F)F)nnc2S)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.4969 |
| logD: | 4.1525 |
| logSw: | -4.3695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.135 |
| InChI Key: | RKOPQJIPJXIOOH-UHFFFAOYSA-N |