methyl 4-{2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G856-7954 |
| Compound Name: | methyl 4-{2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 374.38 |
| Molecular Formula: | C15 H14 N6 O4 S |
| Smiles: | CC1C(Nc2nnc(n2N=1)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3816 |
| logD: | 1.3805 |
| logSw: | -2.2502 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.797 |
| InChI Key: | ZGFMQGBAKDNSNZ-UHFFFAOYSA-N |