N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K784-6142 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 519.67 |
| Molecular Formula: | C28 H33 N5 O3 S |
| Smiles: | Cc1ccc(C)c(Cc2c(C)nc3nc(nn3c2C)SCC(NCCc2ccc(c(c2)OC)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1897 |
| logD: | 4.1896 |
| logSw: | -4.3196 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.129 |
| InChI Key: | TVGJMNDRLZCYPY-UHFFFAOYSA-N |