1-(5,7-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Chemical Structure Depiction of
1-(5,7-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
1-(5,7-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-2052 |
| Compound Name: | 1-(5,7-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C17 H18 N4 O S |
| Smiles: | CC(c1c(C)nc2nc(nn2c1C)SCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6896 |
| logD: | 2.6896 |
| logSw: | -2.8355 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.653 |
| InChI Key: | ATUXSNAPTOBOKL-UHFFFAOYSA-N |