5-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole
Chemical Structure Depiction of
5-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole
5-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole
Compound characteristics
| Compound ID: | 8013-2544 |
| Compound Name: | 5-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole |
| Molecular Weight: | 350.4 |
| Molecular Formula: | C17 H14 N6 O S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCc1ccc2c(c1)non2 |
| Stereo: | ACHIRAL |
| logP: | 3.0834 |
| logD: | 3.0709 |
| logSw: | -2.9258 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.056 |
| InChI Key: | DUMBUACIZMOJCV-UHFFFAOYSA-N |