2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G199-3169 |
| Compound Name: | 2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C18 H18 F N5 O3 S |
| Smiles: | C1CC(CNC(CSC2=NC(c3ccccc3F)=NC3=CC(NN23)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7816 |
| logD: | 0.7816 |
| logSw: | -2.225 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.059 |
| InChI Key: | CXCVKBLJPOCBPB-LLVKDONJSA-N |