1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | K280-0542 |
| Compound Name: | 1-(4-chlorophenyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 513.02 |
| Molecular Formula: | C27 H21 Cl N6 O S |
| Smiles: | Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(n2n1)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5477 |
| logD: | 5.4323 |
| logSw: | -6.0308 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.99 |
| InChI Key: | AQBAWQFIFSYCGH-UHFFFAOYSA-N |