5-methyl-3-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
5-methyl-3-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
5-methyl-3-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6740 |
| Compound Name: | 5-methyl-3-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 317.32 |
| Molecular Formula: | C13 H11 N5 O3 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.735 |
| logD: | 1.7188 |
| logSw: | -2.4926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.079 |
| InChI Key: | XWWMWYYSRJIWMH-UHFFFAOYSA-N |