4-[({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
4-[({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
4-[({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | K280-0543 |
| Compound Name: | 4-[({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C27 H21 N7 S |
| Smiles: | Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(n2n1)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8047 |
| logD: | 4.6818 |
| logSw: | -4.7109 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.799 |
| InChI Key: | CDDRIAPOGMIETF-UHFFFAOYSA-N |