2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | G199-3472 |
Compound Name: | 2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]acetamide |
Molecular Weight: | 435.46 |
Molecular Formula: | C20 H17 N7 O3 S |
Smiles: | Cn1c2ccccc2nc1CNC(CSC1=NC(c2ccco2)=NC2=CC(NN12)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.3634 |
logD: | 1.3559 |
logSw: | -2.0819 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.969 |
InChI Key: | GEAFNLZNERJVMG-UHFFFAOYSA-N |