N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}-2-(2-methylphenoxy)acetamide
Chemical Structure Depiction of
N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}-2-(2-methylphenoxy)acetamide
N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}-2-(2-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | D439-4248 |
| Compound Name: | N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}-2-(2-methylphenoxy)acetamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CCCN1C=NC2=NC(COc3cc(ccc3C)NC(COc3ccccc3C)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2385 |
| logD: | 3.1431 |
| logSw: | -3.3619 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.545 |
| InChI Key: | JBDCTPMZGNQVLQ-UHFFFAOYSA-N |