ethyl ({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate
ethyl ({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate
Compound characteristics
Compound ID: | C445-0302 |
Compound Name: | ethyl ({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetate |
Molecular Weight: | 506.58 |
Molecular Formula: | C25 H26 N6 O4 S |
Smiles: | CCOC(CSc1nc2cc(c(cc2c2nc(CCn3c4ccccc4nc3C)nn12)OC)OC)=O |
Stereo: | ACHIRAL |
logP: | 3.7253 |
logD: | 3.6099 |
logSw: | -3.9087 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 77.434 |
InChI Key: | YZRPKGCDHYCZKL-UHFFFAOYSA-N |