N-(3,5-dimethoxyphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide
N-(3,5-dimethoxyphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | G802-1149 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SC(C)C(Nc1cc(cc(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.676 |
| logD: | 2.6757 |
| logSw: | -3.163 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.276 |
| InChI Key: | ZSOAXZIGYAMWES-HNNXBMFYSA-N |