2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K786-0334 |
| Compound Name: | 2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 451.98 |
| Molecular Formula: | C23 H22 Cl N5 O S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.771 |
| logD: | 4.7708 |
| logSw: | -4.8583 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.006 |
| InChI Key: | PYFSMJSNHBQMFN-UHFFFAOYSA-N |