N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-2-(3-methylphenoxy)acetamide
Chemical Structure Depiction of
N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-2-(3-methylphenoxy)acetamide
N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-2-(3-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | D439-4139 |
| Compound Name: | N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-2-(3-methylphenoxy)acetamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CC(C)N1C=NC2=NC(COc3cc(ccc3C)NC(COc3cccc(C)c3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1958 |
| logD: | 2.8524 |
| logSw: | -3.2915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.14 |
| InChI Key: | JQLNTFKEJJNFMP-UHFFFAOYSA-N |