N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J084-0238 |
| Compound Name: | N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C26 H21 N7 O S |
| Smiles: | Cn1c2ccccc2nc1CNC(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2963 |
| logD: | 4.2888 |
| logSw: | -4.2027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.768 |
| InChI Key: | WKRWCEITFAQYGK-UHFFFAOYSA-N |