2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one
2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D458-0387 |
| Compound Name: | 2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 419.57 |
| Molecular Formula: | C25 H33 N5 O |
| Smiles: | CC1CCN(CC1)C(Cc1c(C)nc2nc(c3ccc(cc3)C(C)(C)C)nn2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0656 |
| logD: | 5.0655 |
| logSw: | -4.6955 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.225 |
| InChI Key: | FYHCKNUHMRVIEL-UHFFFAOYSA-N |