2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[1-(1-methyl-1H-benzimidazol-2-yl)ethyl]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-(1-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[1-(1-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | G199-3565 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-[1-(1-methyl-1H-benzimidazol-2-yl)ethyl]acetamide |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C23 H20 Cl N7 O2 S |
| Smiles: | CC(c1nc2ccccc2n1C)NC(CSC1=NC(c2cccc(c2)[Cl])=NC2=CC(NN12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1019 |
| logD: | 3.0945 |
| logSw: | -3.675 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.578 |
| InChI Key: | LVMVZRRBHJGGOC-ZDUSSCGKSA-N |