N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide
Chemical Structure Depiction of
N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide
N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide
Compound characteristics
| Compound ID: | D439-6241 |
| Compound Name: | N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(COc3ccccc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4569 |
| logD: | 2.4168 |
| logSw: | -2.7091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.175 |
| InChI Key: | PEFBJMWHSHWEQE-UHFFFAOYSA-N |