4-[3-(dimethylamino)propyl]-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[3-(dimethylamino)propyl]-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
4-[3-(dimethylamino)propyl]-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8512 |
| Compound Name: | 4-[3-(dimethylamino)propyl]-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 378.39 |
| Molecular Formula: | C15 H18 F4 N4 O S |
| Smiles: | CN(C)CCCn1c(c2cccc(c2)OC(C(F)F)(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.7129 |
| logD: | 2.7129 |
| logSw: | -2.9885 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.852 |
| InChI Key: | KWVRYRVBQWZKQA-UHFFFAOYSA-N |