2-fluoro-N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
2-fluoro-N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
2-fluoro-N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
Compound ID: | G072-1707 |
Compound Name: | 2-fluoro-N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)benzamide |
Molecular Weight: | 454.54 |
Molecular Formula: | C22 H19 F N4 O2 S2 |
Smiles: | CCCC1=NN2C(=NC(CSc3ccccc3NC(c3ccccc3F)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 4.4033 |
logD: | 4.4002 |
logSw: | -4.3051 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.568 |
InChI Key: | NIKMDJOLEBDCSY-UHFFFAOYSA-N |