N-(3-chlorophenyl)-2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
N-(3-chlorophenyl)-2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | C445-0314 |
Compound Name: | N-(3-chlorophenyl)-2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide |
Molecular Weight: | 588.09 |
Molecular Formula: | C29 H26 Cl N7 O3 S |
Smiles: | Cc1nc2ccccc2n1CCc1nc2c3cc(c(cc3nc(n2n1)SCC(Nc1cccc(c1)[Cl])=O)OC)OC |
Stereo: | ACHIRAL |
logP: | 5.2677 |
logD: | 5.1522 |
logSw: | -5.7147 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.153 |
InChI Key: | PQCGWJQDNMXZGB-UHFFFAOYSA-N |