1-{4-[7-(4-cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one
Chemical Structure Depiction of
1-{4-[7-(4-cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one
1-{4-[7-(4-cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one
Compound characteristics
| Compound ID: | V013-8040 |
| Compound Name: | 1-{4-[7-(4-cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-3-methylbut-2-en-1-one |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C26 H32 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)=CC(N1CCN(CC1)c1nc2nccc(c3ccc(cc3)C3CCCCC3)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3157 |
| logD: | 5.3149 |
| logSw: | -5.1917 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.713 |
| InChI Key: | YPTISRLWEFIKNK-UHFFFAOYSA-N |