2-(2,6-dimethylphenoxy)-N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}acetamide
Chemical Structure Depiction of
2-(2,6-dimethylphenoxy)-N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}acetamide
2-(2,6-dimethylphenoxy)-N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}acetamide
Compound characteristics
| Compound ID: | D439-4254 |
| Compound Name: | 2-(2,6-dimethylphenoxy)-N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}acetamide |
| Molecular Weight: | 475.55 |
| Molecular Formula: | C26 H29 N5 O4 |
| Smiles: | CCCN1C=NC2=NC(COc3cc(ccc3C)NC(COc3c(C)cccc3C)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7231 |
| logD: | 3.6277 |
| logSw: | -4.0628 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.632 |
| InChI Key: | PAVQCBDHYJODHE-UHFFFAOYSA-N |