N-{3-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{3-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methoxybenzamide
N-{3-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methoxybenzamide
Compound characteristics
Compound ID: | C679-5839 |
Compound Name: | N-{3-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methoxybenzamide |
Molecular Weight: | 490.58 |
Molecular Formula: | C26 H26 N4 O4 S |
Smiles: | COc1cccc(c1)C(Nc1cccc(c1)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.0633 |
logD: | 5.0631 |
logSw: | -4.6653 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.325 |
InChI Key: | JIIYLIOAYZTKMX-UHFFFAOYSA-N |