1-(4-{[2-(adamantan-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{[2-(adamantan-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
1-(4-{[2-(adamantan-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | C301-7487 |
| Compound Name: | 1-(4-{[2-(adamantan-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C24 H27 N5 O |
| Smiles: | CC(c1ccc(cc1)Nc1cc(C)nc2nc(C34CC5CC(CC(C5)C4)C3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1071 |
| logD: | 5.0859 |
| logSw: | -5.036 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.7 |
| InChI Key: | FEIMHOUKVQEFAG-UHFFFAOYSA-N |