2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K784-7476 |
| Compound Name: | 2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C22 H27 N5 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6404 |
| logD: | 3.64 |
| logSw: | -3.9169 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.947 |
| InChI Key: | FERQZXFDGVPNJC-UHFFFAOYSA-N |