2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8019-8136 |
| Compound Name: | 2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C20 H16 F N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(CSC1NC(n2c(c(cn2)c2ccc(cc2)F)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6497 |
| logD: | 3.6326 |
| logSw: | -3.834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.984 |
| InChI Key: | NQOICINEHKNSJF-UHFFFAOYSA-N |