5-(2H-1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
5-(2H-1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-4216 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 331.78 |
| Molecular Formula: | C15 H10 Cl N3 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc(n1c1ccc(cc1)[Cl])S |
| Stereo: | ACHIRAL |
| logP: | 3.8318 |
| logD: | 2.2892 |
| logSw: | -4.5637 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.573 |
| InChI Key: | CGYULLCQQLPVRN-UHFFFAOYSA-N |