3,4-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
3,4-dimethoxy-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
3,4-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: | D439-6273 |
| Compound Name: | 3,4-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(c3ccc(c(c3)OC)OC)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2736 |
| logD: | 2.2335 |
| logSw: | -2.9188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.15 |
| InChI Key: | ODGHKZMNMPYWIN-UHFFFAOYSA-N |