N-[2-(1H-benzimidazol-2-yl)ethyl]-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3600 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-{[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 489.51 |
| Molecular Formula: | C23 H19 N7 O4 S |
| Smiles: | C(CNC(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.9535 |
| logD: | 1.9401 |
| logSw: | -2.6564 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.643 |
| InChI Key: | RFYZLJUHYRBOBI-UHFFFAOYSA-N |