5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0123 |
| Compound Name: | 5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C15 H17 N5 O S |
| Smiles: | CCOc1ccc(cc1)n1c(c2cc(C)nn2C)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.8731 |
| logD: | 0.9822 |
| logSw: | -2.068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.904 |
| InChI Key: | DIXXARDXPMBUAC-UHFFFAOYSA-N |