N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(7-oxo-2-phenyl-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-[(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G199-2895 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C22 H19 N7 O2 S |
| Smiles: | C(CNC(CSC1=NC(c2ccccc2)=NC2=CC(NN12)=O)=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.9519 |
| logD: | 1.9384 |
| logSw: | -2.3362 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.527 |
| InChI Key: | OBNLMYNASBDPNB-UHFFFAOYSA-N |