2-(2,3-dimethylphenoxy)-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-(2,3-dimethylphenoxy)-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide
2-(2,3-dimethylphenoxy)-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: | D439-6245 |
| Compound Name: | 2-(2,3-dimethylphenoxy)-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: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(COc3cccc(C)c3C)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3634 |
| logD: | 3.3232 |
| logSw: | -3.5242 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.262 |
| InChI Key: | RPOVDZSSERTPRK-UHFFFAOYSA-N |