2-(2-methylphenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide
Chemical Structure Depiction of
2-(2-methylphenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide
2-(2-methylphenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide
Compound characteristics
| Compound ID: | D439-6242 |
| Compound Name: | 2-(2-methylphenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C24 H25 N5 O3 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(COc3ccccc3C)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9601 |
| logD: | 2.92 |
| logSw: | -3.3339 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.262 |
| InChI Key: | RWXWAAKWDCTTQM-UHFFFAOYSA-N |