N-{3-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{3-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbenzamide
N-{3-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbenzamide
Compound characteristics
Compound ID: | C679-4371 |
Compound Name: | N-{3-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbenzamide |
Molecular Weight: | 420.49 |
Molecular Formula: | C22 H20 N4 O3 S |
Smiles: | CCC1=NN2C(=NC(COc3cccc(c3)NC(c3cccc(C)c3)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 3.9267 |
logD: | 3.919 |
logSw: | -4.0155 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.765 |
InChI Key: | PZLXZBSBWVNCRP-UHFFFAOYSA-N |