N-[(1H-benzimidazol-2-yl)methyl]-2-{[2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-[(1H-benzimidazol-2-yl)methyl]-2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3384 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-2-{[2-(4-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C22 H19 N7 O3 S |
| Smiles: | COc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(NCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3638 |
| logD: | 2.3624 |
| logSw: | -2.5702 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.23 |
| InChI Key: | JAEPCLHJJSCNPW-UHFFFAOYSA-N |