2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C121-0428 |
| Compound Name: | 2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nc2nc(C)c(Cc3cc(C)ccc3C)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5856 |
| logD: | 5.5855 |
| logSw: | -5.2805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.828 |
| InChI Key: | HBMIXFYTWNUNMR-UHFFFAOYSA-N |