3-{[(1,3-dioxan-4-yl)methyl]sulfanyl}-4,5-diphenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(1,3-dioxan-4-yl)methyl]sulfanyl}-4,5-diphenyl-4H-1,2,4-triazole
3-{[(1,3-dioxan-4-yl)methyl]sulfanyl}-4,5-diphenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-8681 |
| Compound Name: | 3-{[(1,3-dioxan-4-yl)methyl]sulfanyl}-4,5-diphenyl-4H-1,2,4-triazole |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | C1COCOC1CSc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3807 |
| logD: | 3.3807 |
| logSw: | -3.5297 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.836 |
| InChI Key: | ZQRUVANIBUOZDH-QGZVFWFLSA-N |