methyl {[7-oxo-5-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[7-oxo-5-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetate
methyl {[7-oxo-5-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
Compound ID: | D718-0286 |
Compound Name: | methyl {[7-oxo-5-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetate |
Molecular Weight: | 282.32 |
Molecular Formula: | C11 H14 N4 O3 S |
Smiles: | CC(C)C1=CC(n2c(N1)nc(n2)SCC(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 1.301 |
logD: | 0.268 |
logSw: | -2.1752 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.807 |
InChI Key: | DWGWKLHKKORAAM-UHFFFAOYSA-N |