3-methyl-7-{[(4-nitrophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-{[(4-nitrophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-{[(4-nitrophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3799 |
| Compound Name: | 3-methyl-7-{[(4-nitrophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C12 H9 N5 O3 S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8205 |
| logD: | 2.7811 |
| logSw: | -3.2448 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.071 |
| InChI Key: | FJDDITKBCDBMPS-UHFFFAOYSA-N |