2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-(4-fluorophenyl)-N-methylacetamide
Chemical Structure Depiction of
2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-(4-fluorophenyl)-N-methylacetamide
2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-(4-fluorophenyl)-N-methylacetamide
Compound characteristics
| Compound ID: | F424-1088 |
| Compound Name: | 2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-(4-fluorophenyl)-N-methylacetamide |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C22 H20 F N5 O2 S |
| Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC(N(C)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0097 |
| logD: | 4.0082 |
| logSw: | -3.9902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.428 |
| InChI Key: | YJYWZICANZGRGA-UHFFFAOYSA-N |