7-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3803 |
| Compound Name: | 7-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 318.42 |
| Molecular Formula: | C14 H14 N4 O S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3999 |
| logD: | 4.2417 |
| logSw: | -4.2505 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.689 |
| InChI Key: | DLHSDEHJRRKUME-UHFFFAOYSA-N |