methyl 4-{2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G786-1964 |
| Compound Name: | methyl 4-{2-[(3-tert-butyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C18 H19 N5 O4 S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0096 |
| logD: | 4.009 |
| logSw: | -4.1467 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.839 |
| InChI Key: | YANHDMCGBBXZGJ-UHFFFAOYSA-N |