{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(4-pentylphenyl)methanone
Chemical Structure Depiction of
{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(4-pentylphenyl)methanone
{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(4-pentylphenyl)methanone
Compound characteristics
| Compound ID: | V002-5213 |
| Compound Name: | {4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(4-pentylphenyl)methanone |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Salt: | not_available |
| Smiles: | CCCCCc1ccc(cc1)C(N1CCN(CC1)c1nc2nccc(c3ccc4c(c3)OCO4)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4266 |
| logD: | 5.4265 |
| logSw: | -5.1982 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.164 |
| InChI Key: | VZCIJZRCBDTTFX-UHFFFAOYSA-N |