2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(furan-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-[(furan-3-yl)methyl]acetamide
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(furan-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 8019-8137 |
| Compound Name: | 2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(furan-3-yl)methyl]acetamide |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C18 H14 F N5 O3 S |
| Smiles: | C(c1ccoc1)NC(CSC1NC(n2c(c(cn2)c2ccc(cc2)F)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.56 |
| logD: | 2.543 |
| logSw: | -3.0334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.566 |
| InChI Key: | JMMMMFLDJAJGMC-UHFFFAOYSA-N |