2-({6-[(2-chloro-4-fluorophenyl)methyl]-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-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
2-({6-[(2-chloro-4-fluorophenyl)methyl]-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: | C121-0659 |
| Compound Name: | 2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 461.99 |
| Molecular Formula: | C22 H25 Cl F N5 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nc2nc(C)c(Cc3ccc(cc3[Cl])F)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5695 |
| logD: | 4.5691 |
| logSw: | -4.5772 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.947 |
| InChI Key: | LUDZISAFKDAOBC-UHFFFAOYSA-N |