N-(3-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
Chemical Structure Depiction of
N-(3-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
N-(3-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
Compound characteristics
Compound ID: | C679-5017 |
Compound Name: | N-(3-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide |
Molecular Weight: | 448.54 |
Molecular Formula: | C24 H24 N4 O3 S |
Smiles: | CCC(CC)C1=NN2C(=NC(COc3cccc(c3)NC(c3ccccc3)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 4.8243 |
logD: | 4.8207 |
logSw: | -4.5746 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.861 |
InChI Key: | ZTPXXFKDPVDVIX-UHFFFAOYSA-N |