3,5-bis{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-4-amine
Chemical Structure Depiction of
3,5-bis{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-4-amine
3,5-bis{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-4-amine
Compound characteristics
| Compound ID: | 8012-9926 |
| Compound Name: | 3,5-bis{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-4-amine |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C18 H14 N6 O2 S2 |
| Smiles: | C(c1nnc(CSc2nc3ccccc3o2)n1N)Sc1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 3.2648 |
| logD: | 3.2648 |
| logSw: | -3.3198 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.837 |
| InChI Key: | RFFVXUAVIRSHNV-UHFFFAOYSA-N |