N-(4-ethylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(4-ethylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | G856-6673 |
Compound Name: | N-(4-ethylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
Molecular Weight: | 343.41 |
Molecular Formula: | C16 H17 N5 O2 S |
Smiles: | CCc1ccc(cc1)NC(CSc1nnc2NC(C=C(C)n12)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2014 |
logD: | 2.1853 |
logSw: | -2.7083 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.846 |
InChI Key: | VURGQEIYDQPBGL-UHFFFAOYSA-N |