N-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-4-methylbenzamide
N-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | C679-4419 |
| Compound Name: | N-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-4-methylbenzamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(cc3)NC(c3ccc(C)cc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8941 |
| logD: | 3.8875 |
| logSw: | -3.963 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.765 |
| InChI Key: | WOCYGNYLDMJBRJ-UHFFFAOYSA-N |