3,4-dimethoxy-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3,4-dimethoxy-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
3,4-dimethoxy-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
Compound ID: | G072-1068 |
Compound Name: | 3,4-dimethoxy-N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide |
Molecular Weight: | 468.55 |
Molecular Formula: | C22 H20 N4 O4 S2 |
Smiles: | CC1=NN2C(=NC(CSc3ccccc3NC(c3ccc(c(c3)OC)OC)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 3.1364 |
logD: | 3.1339 |
logSw: | -3.5105 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.098 |
InChI Key: | XPYWBRXLQMUMGJ-UHFFFAOYSA-N |