2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(2-ethylpiperidin-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-(2-ethylpiperidin-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-(2-ethylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C121-0057 |
| Compound Name: | 2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(2-ethylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 437.61 |
| Molecular Formula: | C24 H31 N5 O S |
| Smiles: | CCC1CCCCN1C(CSc1nc2nc(C)c(Cc3ccccc3C)c(C)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.773 |
| logD: | 4.7726 |
| logSw: | -4.5435 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.594 |
| InChI Key: | HQSJVGJRCBRXGV-FQEVSTJZSA-N |