3,5-dimethoxy-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3,5-dimethoxy-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
3,5-dimethoxy-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | D439-6288 |
| Compound Name: | 3,5-dimethoxy-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(c3cc(cc(c3)OC)OC)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9148 |
| logD: | 2.8747 |
| logSw: | -3.5021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.977 |
| InChI Key: | FLQOGSULORHILE-UHFFFAOYSA-N |