N-{4-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
N-{4-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
N-{4-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Compound characteristics
Compound ID: | C679-5848 |
Compound Name: | N-{4-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide |
Molecular Weight: | 460.55 |
Molecular Formula: | C25 H24 N4 O3 S |
Smiles: | C1CCC(CC1)C1=NN2C(=NC(COc3ccc(cc3)NC(c3ccccc3)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 4.8112 |
logD: | 4.8109 |
logSw: | -4.6751 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.782 |
InChI Key: | QCJIVEIPSLXKKB-UHFFFAOYSA-N |