2-(3,4-dimethylphenoxy)-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)acetamide
Chemical Structure Depiction of
2-(3,4-dimethylphenoxy)-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)acetamide
2-(3,4-dimethylphenoxy)-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)acetamide
Compound characteristics
| Compound ID: | C679-4202 |
| Compound Name: | 2-(3,4-dimethylphenoxy)-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)acetamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | CC(C)C1=NN2C(=NC(COc3cccc(c3)NC(COc3ccc(C)c(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.0806 |
| logD: | 5.0723 |
| logSw: | -4.9379 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.147 |
| InChI Key: | VAPAXBWZKOTQJG-UHFFFAOYSA-N |