4-(2H-1,3-benzodioxol-5-yl)-5-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9872 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 343.41 |
| Molecular Formula: | C16 H17 N5 O2 S |
| Smiles: | CC(C)Cc1cc(c2nnc(n2c2ccc3c(c2)OCO3)S)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3539 |
| logD: | 2.4631 |
| logSw: | -3.4992 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.83 |
| InChI Key: | ZDGGAZMEXDQBQP-UHFFFAOYSA-N |