N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-(3,4-dimethoxyphenyl)-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: | K788-0059 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | Cc1ccc(C)c(Cc2c(C)nc3nc(nn3c2C)SCC(Nc2ccc(c(c2)OC)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7515 |
| logD: | 4.7514 |
| logSw: | -4.5723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.965 |
| InChI Key: | DFOFHJPQDRCMLN-UHFFFAOYSA-N |