2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-nitrophenyl)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-(3-nitrophenyl)acetamide
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Compound characteristics
Compound ID: | G856-6692 |
Compound Name: | 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide |
Molecular Weight: | 360.35 |
Molecular Formula: | C14 H12 N6 O4 S |
Smiles: | CC1=CC(Nc2nnc(n12)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.3385 |
logD: | 1.3224 |
logSw: | -2.5532 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 108.228 |
InChI Key: | YDMIGIJOHWNBEI-UHFFFAOYSA-N |