4-(2H-1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-4909 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 376.23 |
| Molecular Formula: | C15 H10 Br N3 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)n1c(c2ccc(cc2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.0754 |
| logD: | 2.5329 |
| logSw: | -4.3718 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.573 |
| InChI Key: | DQKRFEFUOYDYIM-UHFFFAOYSA-N |