N-cyclooctyl-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-cyclooctyl-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-cyclooctyl-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C179-0008 |
| Compound Name: | N-cyclooctyl-2-({5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 451.63 |
| Molecular Formula: | C25 H33 N5 O S |
| Smiles: | Cc1ccccc1Cc1c(C)nc2nc(nn2c1C)SCC(NC1CCCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6666 |
| logD: | 5.6665 |
| logSw: | -5.2965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.083 |
| InChI Key: | CBHMFANAUHPNCQ-UHFFFAOYSA-N |