N-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-(3-chloro-4-fluorophenyl)-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: | K788-0061 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-({6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 483.99 |
| Molecular Formula: | C24 H23 Cl F N5 O S |
| Smiles: | Cc1ccc(C)c(Cc2c(C)nc3nc(nn3c2C)SCC(Nc2ccc(c(c2)[Cl])F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9467 |
| logD: | 5.9385 |
| logSw: | -6.0554 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.704 |
| InChI Key: | HWPYPMIXSXRCEY-UHFFFAOYSA-N |