7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3737 |
| Compound Name: | 7-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C13 H17 N5 O2 S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3291 |
| logD: | 2.068 |
| logSw: | -2.0841 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.413 |
| InChI Key: | VCZRBQIQOSBCCG-UHFFFAOYSA-N |