3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
Chemical Structure Depiction of
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
Compound characteristics
| Compound ID: | 8018-0017 |
| Compound Name: | 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | C1COc2cc(ccc2O1)n1c(c2cccc(c2)O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.9862 |
| logD: | 0.4437 |
| logSw: | -1.6619 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.898 |
| InChI Key: | JEKIFNSXQFSNHX-UHFFFAOYSA-N |