N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-(3,4-dimethylphenoxy)acetamide
Chemical Structure Depiction of
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-(3,4-dimethylphenoxy)acetamide
N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-(3,4-dimethylphenoxy)acetamide
Compound characteristics
| Compound ID: | C679-4715 |
| Compound Name: | N-{3-[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-(3,4-dimethylphenoxy)acetamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | CCCCC1=NN2C(=NC(COc3cccc(c3)NC(COc3ccc(C)c(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.6026 |
| logD: | 5.6017 |
| logSw: | -5.2668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.05 |
| InChI Key: | XLBFVYYPANKJMJ-UHFFFAOYSA-N |