methyl 4-{[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]methyl}benzoate
methyl 4-{[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 8008-4961 |
| Compound Name: | methyl 4-{[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 304.33 |
| Molecular Formula: | C12 H12 N6 O2 S |
| Smiles: | COC(c1ccc(CSc2nnc3n(cnn23)N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4268 |
| logD: | 0.4268 |
| logSw: | -1.8758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.717 |
| InChI Key: | SHJFFIWSXLTUCX-UHFFFAOYSA-N |