N-[(1H-benzimidazol-2-yl)methyl]-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(1H-benzimidazol-2-yl)methyl]-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-[(1H-benzimidazol-2-yl)methyl]-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3154 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-2-{[2-(2-fluorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C21 H16 F N7 O2 S |
| Smiles: | C(c1nc2ccccc2[nH]1)NC(CSC1=NC(c2ccccc2F)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.303 |
| logD: | 2.3016 |
| logSw: | -2.9294 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.686 |
| InChI Key: | OMQHMXNOUKWJKJ-UHFFFAOYSA-N |