3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6759 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 324.76 |
| Molecular Formula: | C13 H10 Cl F N4 O S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6219 |
| logD: | 2.6058 |
| logSw: | -3.4439 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.697 |
| InChI Key: | LRBIQDMYGFZJCD-UHFFFAOYSA-N |