5-{[3-(dimethylamino)phenoxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[3-(dimethylamino)phenoxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
5-{[3-(dimethylamino)phenoxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-0241 |
| Compound Name: | 5-{[3-(dimethylamino)phenoxy]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C17 H18 N4 O S |
| Smiles: | CN(C)c1cccc(c1)OCc1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 2.9988 |
| logD: | 1.7395 |
| logSw: | -3.1517 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.738 |
| InChI Key: | QZDUIOITEPMHIK-UHFFFAOYSA-N |