7-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3796 |
| Compound Name: | 7-{[(4-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 308.35 |
| Molecular Formula: | C12 H9 F N4 O S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9239 |
| logD: | 2.8845 |
| logSw: | -3.132 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.689 |
| InChI Key: | NLACFQSGNMOMGH-UHFFFAOYSA-N |