3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
Compound ID: | G856-3810 |
Compound Name: | 3-methyl-7-{[(naphthalen-1-yl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
Molecular Weight: | 340.42 |
Molecular Formula: | C16 H12 N4 O S2 |
Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCc1cccc2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 4.4024 |
logD: | 4.3008 |
logSw: | -4.4573 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 47.418 |
InChI Key: | SDDLEDWLAOAQJQ-UHFFFAOYSA-N |