4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-2-(2-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-2-(2-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-2-(2-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-0170 |
| Compound Name: | 4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-2-(2-methylphenyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C20 H16 N6 O3 S |
| Smiles: | CC1=CC2=NC(CSC3=NC(c4ccccc4C)=NC4=CC(NN34)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6287 |
| logD: | 1.6286 |
| logSw: | -2.6301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.396 |
| InChI Key: | BOQUXHOSPXGJAT-UHFFFAOYSA-N |