2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C445-0310 |
| Compound Name: | 2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 571.63 |
| Molecular Formula: | C29 H26 F N7 O3 S |
| Smiles: | Cc1nc2ccccc2n1CCc1nc2c3cc(c(cc3nc(n2n1)SCC(Nc1ccc(cc1)F)=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5432 |
| logD: | 4.4277 |
| logSw: | -4.2716 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.153 |
| InChI Key: | ZRLLFDAKCZRGPT-UHFFFAOYSA-N |