4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9203 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 313.34 |
| Molecular Formula: | C14 H11 N5 O2 S |
| Smiles: | C(c1ccc2c(c1)OCO2)n1c(c2cnccn2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.3846 |
| logD: | 1.0386 |
| logSw: | -1.2867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.396 |
| InChI Key: | AJUHRBQWBWKTDL-UHFFFAOYSA-N |