3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D035-0118 |
| Compound Name: | 3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 304.39 |
| Molecular Formula: | C13 H12 N4 O S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9725 |
| logD: | 3.8143 |
| logSw: | -3.9647 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.689 |
| InChI Key: | YMVFWJJAQMNNLX-UHFFFAOYSA-N |