2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K786-0332 |
| Compound Name: | 2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | Cc1c(Cc2ccccc2)c(C)n2c(n1)nc(n2)SCC(Nc1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4277 |
| logD: | 3.4274 |
| logSw: | -3.9263 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.682 |
| InChI Key: | IBJGSDIFCXZKMV-UHFFFAOYSA-N |