N-(2,4-dimethylphenyl)-2-({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-(2,4-dimethylphenyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
N-(2,4-dimethylphenyl)-2-({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: | K280-0478 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C29 H27 N7 O S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc2ccccc2c2nc(CCn3c4ccccc4nc3C)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3084 |
| logD: | 5.193 |
| logSw: | -5.4544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.195 |
| InChI Key: | BSSXBZZYSCZGSJ-UHFFFAOYSA-N |