1-(3,5-dimethylpiperidin-1-yl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,5-dimethylpiperidin-1-yl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
1-(3,5-dimethylpiperidin-1-yl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | K280-0408 |
| Compound Name: | 1-(3,5-dimethylpiperidin-1-yl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C28 H31 N7 O S |
| Smiles: | CC1CC(C)CN(C1)C(CSc1nc2ccccc2c2nc(CCn3c4ccccc4nc3C)nn12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0039 |
| logD: | 4.8886 |
| logSw: | -4.7263 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.002 |
| InChI Key: | FAGRCCLWUKNKOC-UHFFFAOYSA-N |