5-({[5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
5-({[5-(4-methoxyphenyl)-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: | G647-2371 |
| Compound Name: | 5-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C21 H17 N7 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc([nH]1)SCC1=CC(N2C(NC(c3ccccc3)=N2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.613 |
| logD: | 2.613 |
| logSw: | -3.1277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.975 |
| InChI Key: | UNEJHNBOQRWQTN-UHFFFAOYSA-N |