5-methyl-3-{[(naphthalen-1-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
5-methyl-3-{[(naphthalen-1-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
5-methyl-3-{[(naphthalen-1-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6739 |
| Compound Name: | 5-methyl-3-{[(naphthalen-1-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 322.39 |
| Molecular Formula: | C17 H14 N4 O S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCc1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1029 |
| logD: | 3.0867 |
| logSw: | -3.3405 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.426 |
| InChI Key: | NOMLDWPQHIOBKN-UHFFFAOYSA-N |