5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-9709 |
| Compound Name: | 5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 390.26 |
| Molecular Formula: | C16 H12 Br N3 O2 S |
| Smiles: | C1COc2cc(ccc2O1)n1c(c2ccc(cc2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.2149 |
| logD: | 1.6723 |
| logSw: | -3.2532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.281 |
| InChI Key: | WVCKCCUIIGPPNB-UHFFFAOYSA-N |