N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K280-0336 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C28 H31 N7 O3 S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4ccccc4nc(n3n2)SCC(NCCc2ccc(c(c2)OC)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3494 |
| logD: | 2.2477 |
| logSw: | -2.8531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.347 |
| InChI Key: | PVHAZUWVQNRZBK-UHFFFAOYSA-N |