2-(4-chlorophenoxy)-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-(4-chlorophenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide
2-(4-chlorophenoxy)-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: | D439-6259 |
| Compound Name: | 2-(4-chlorophenoxy)-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: | 483.98 |
| Molecular Formula: | C23 H22 Cl N5 O3 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(COc3ccc(cc3)[Cl])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0801 |
| logD: | 3.04 |
| logSw: | -3.5448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.175 |
| InChI Key: | BAYUJGSOIFNCOB-UHFFFAOYSA-N |