3-methyl-7-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G786-1968 |
| Compound Name: | 3-methyl-7-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C14 H12 N4 O2 S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1209 |
| logD: | 3.028 |
| logSw: | -3.234 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.936 |
| InChI Key: | OKOVWTMZUPLQGJ-UHFFFAOYSA-N |