N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
Compound ID: | G072-1154 |
Compound Name: | N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
Molecular Weight: | 466.54 |
Molecular Formula: | C22 H18 N4 O4 S2 |
Smiles: | CCC1=NN2C(=NC(CSc3ccccc3NC(c3ccc4c(c3)OCO4)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 3.8059 |
logD: | 3.8028 |
logSw: | -3.9961 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.683 |
InChI Key: | MKZPVLZNGSWFBE-UHFFFAOYSA-N |