methyl 6-{4-[7-(4-cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate
Chemical Structure Depiction of
methyl 6-{4-[7-(4-cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate
methyl 6-{4-[7-(4-cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate
Compound characteristics
| Compound ID: | V010-0596 |
| Compound Name: | methyl 6-{4-[7-(4-cyclohexylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C28 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | COC(CCCCC(N1CCN(CC1)c1nc2nccc(c3ccc(cc3)C3CCCCC3)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4529 |
| logD: | 4.451 |
| logSw: | -4.2895 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.292 |
| InChI Key: | REWCJSKIEGPSDH-UHFFFAOYSA-N |