4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazole-3-thiol
4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9198 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C16 H13 N3 O2 S |
| Smiles: | C(c1ccc2c(c1)OCO2)n1c(c2ccccc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.2885 |
| logD: | 2.658 |
| logSw: | -3.3495 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.83 |
| InChI Key: | OICGHPINVLKXSW-UHFFFAOYSA-N |