2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(2-ethylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(2-ethylpiperidin-1-yl)ethan-1-one
2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(2-ethylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C121-0531 |
| Compound Name: | 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(2-ethylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 458.02 |
| Molecular Formula: | C23 H28 Cl N5 O S |
| Smiles: | CCC1CCCCN1C(CSc1nc2nc(C)c(Cc3ccccc3[Cl])c(C)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7295 |
| logD: | 4.7291 |
| logSw: | -4.6812 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.594 |
| InChI Key: | VASKEWFTKYZZOW-SFHVURJKSA-N |