N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide
Chemical Structure Depiction of
N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide
N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide
Compound characteristics
| Compound ID: | G647-2571 |
| Compound Name: | N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-2-phenoxyacetamide |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C26 H21 N5 O3 S |
| Smiles: | C(C(Nc1ccccc1SCC1=CC(N2C(NC(c3ccccc3)=N2)=N1)=O)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.68 |
| logD: | 3.68 |
| logSw: | -4.0859 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.604 |
| InChI Key: | YBOAMAFDLWVGKG-UHFFFAOYSA-N |