ethyl 4-{2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G856-3778 |
| Compound Name: | ethyl 4-{2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C16 H15 N5 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=NN2C(=NN=C(C)C2=O)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1717 |
| logD: | 3.1679 |
| logSw: | -3.2645 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.592 |
| InChI Key: | PBTSIDLRCDKSFF-UHFFFAOYSA-N |