2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]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-[(pyridin-3-yl)methyl]acetamide
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 8019-8145 |
| Compound Name: | 2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C19 H15 F N6 O2 S |
| Smiles: | C(c1cccnc1)NC(CSC1NC(n2c(c(cn2)c2ccc(cc2)F)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1209 |
| logD: | 2.1014 |
| logSw: | -2.6518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.281 |
| InChI Key: | XWGKWERINJGIEU-UHFFFAOYSA-N |