2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C121-0041 |
| Compound Name: | 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C23 H29 N5 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nc2nc(C)c(Cc3ccccc3C)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.372 |
| logD: | 4.3717 |
| logSw: | -4.297 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.947 |
| InChI Key: | NQJQVWXKCGWMEU-UHFFFAOYSA-N |