5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Chemical Structure Depiction of
5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Compound characteristics
| Compound ID: | G647-1306 |
| Compound Name: | 5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one |
| Molecular Weight: | 405.44 |
| Molecular Formula: | C19 H15 N7 O2 S |
| Smiles: | Cn1c(c2ccco2)nnc1SCC1=CC(N2C(NC(c3ccccc3)=N2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9343 |
| logD: | 1.9343 |
| logSw: | -2.5583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.587 |
| InChI Key: | QXEZZKYFMAAREU-UHFFFAOYSA-N |