N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D278-0847 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | COc1ccc(CCNC(CSc2nnc3ccc4ccccc4n23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4289 |
| logD: | 2.4289 |
| logSw: | -3.0999 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.656 |
| InChI Key: | OEBGLUAJYVMUEK-UHFFFAOYSA-N |