2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G856-6706 |
| Compound Name: | 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C13 H17 N5 O3 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.5925 |
| logD: | -0.6086 |
| logSw: | -1.5949 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.823 |
| InChI Key: | APZQLNWSHZVEAR-SECBINFHSA-N |