2-{[2-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: | G199-3564 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-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: | 479.95 |
| Molecular Formula: | C22 H18 Cl N7 O2 S |
| Smiles: | Cn1c2ccccc2nc1CNC(CSC1=NC(c2cccc(c2)[Cl])=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9013 |
| logD: | 2.8938 |
| logSw: | -3.6245 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.391 |
| InChI Key: | DSUOPEGZRNWKBJ-UHFFFAOYSA-N |