4-(2H-1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1)
4-(2H-1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-5361 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol--hydrogen chloride (1/1) |
| Molecular Weight: | 363.82 |
| Molecular Formula: | C15 H13 N5 O2 S |
| Salt: | HCl |
| Smiles: | C1CC1c1cc(c2nnc(n2c2ccc3c(c2)OCO3)S)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.773 |
| logD: | 1.8821 |
| logSw: | -3.11 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.586 |
| InChI Key: | LCEHGHOOYVBORD-UHFFFAOYSA-N |