2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-1-(4-fluorophenyl)ethan-1-one
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)-1-(4-fluorophenyl)ethan-1-one
2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | C445-0306 |
| 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)-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 556.62 |
| Molecular Formula: | C29 H25 F N6 O3 S |
| Smiles: | Cc1nc2ccccc2n1CCc1nc2c3cc(c(cc3nc(n2n1)SCC(c1ccc(cc1)F)=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6704 |
| logD: | 4.555 |
| logSw: | -4.4373 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.251 |
| InChI Key: | IARZCYOVUOGVDI-UHFFFAOYSA-N |