1-{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-ethylhexan-1-one
Chemical Structure Depiction of
1-{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-ethylhexan-1-one
1-{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-ethylhexan-1-one
Compound characteristics
| Compound ID: | V015-0853 |
| Compound Name: | 1-{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-ethylhexan-1-one |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C24 H30 N6 O3 |
| Smiles: | CCCCC(CC)C(N1CCN(CC1)c1nc2nccc(c3ccc4c(c3)OCO4)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4097 |
| logD: | 4.4074 |
| logSw: | -4.2699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.436 |
| InChI Key: | ZDTSMUFGQWQTGF-KRWDZBQOSA-N |