5-(5-bromopyridin-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(5-bromopyridin-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
5-(5-bromopyridin-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9611 |
| Compound Name: | 5-(5-bromopyridin-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 391.24 |
| Molecular Formula: | C15 H11 Br N4 O2 S |
| Smiles: | C1COc2cc(ccc2O1)n1c(c2cc(cnc2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.0773 |
| logD: | 0.5985 |
| logSw: | -2.1696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.888 |
| InChI Key: | NWNAIUYJIYDUGK-UHFFFAOYSA-N |