3-tert-butyl-7-(methylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-tert-butyl-7-(methylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-tert-butyl-7-(methylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | 8013-2911 |
| Compound Name: | 3-tert-butyl-7-(methylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 256.35 |
| Molecular Formula: | C9 H12 N4 O S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9519 |
| logD: | 2.9447 |
| logSw: | -3.0285 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.787 |
| InChI Key: | DTIOMVIQLDWCOB-UHFFFAOYSA-N |