3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | G856-3740 |
| Compound Name: | 3-methyl-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C17 H18 N6 O2 S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCC(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4685 |
| logD: | 2.2073 |
| logSw: | -2.4355 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.342 |
| InChI Key: | WHQXKQRSJVYDBF-UHFFFAOYSA-N |