N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | 8019-8143 |
Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 481.46 |
Molecular Formula: | C22 H16 F N5 O5 S |
Smiles: | CC(c1cc2c(cc1NC(CSC1NC(n3c(c(cn3)c3ccc(cc3)F)N=1)=O)=O)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 3.093 |
logD: | 3.0637 |
logSw: | -3.3134 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 100.685 |
InChI Key: | NAAITOMDISXSRA-UHFFFAOYSA-N |