5-{[(4-methyl-5-phenyl-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-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
5-{[(4-methyl-5-phenyl-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: | G647-1201 |
| Compound Name: | 5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C21 H17 N7 O S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC1=CC(N2C(NC(c3ccccc3)=N2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8797 |
| logD: | 2.8797 |
| logSw: | -3.4523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.008 |
| InChI Key: | XTCWLCUEWLGDFA-UHFFFAOYSA-N |