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-(2,4-dimethylphenyl)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-(2,4-dimethylphenyl)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-(2,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C445-0318 |
| 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-(2,4-dimethylphenyl)acetamide |
| Molecular Weight: | 581.7 |
| Molecular Formula: | C31 H31 N7 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc2cc(c(cc2c2nc(CCn3c4ccccc4nc3C)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9967 |
| logD: | 4.8814 |
| logSw: | -4.596 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.455 |
| InChI Key: | IIXUMHATEPMQJW-UHFFFAOYSA-N |