{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(3,4-dimethylphenyl)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}(3,4-dimethylphenyl)methanone
{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(3,4-dimethylphenyl)methanone
Compound characteristics
| Compound ID: | V004-0370 |
| Compound Name: | {4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(3,4-dimethylphenyl)methanone |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C25 H24 N6 O3 |
| Smiles: | Cc1ccc(cc1C)C(N1CCN(CC1)c1nc2nccc(c3ccc4c(c3)OCO4)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8047 |
| logD: | 3.8047 |
| logSw: | -3.883 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.164 |
| InChI Key: | IAHMFHRNRNXVQS-UHFFFAOYSA-N |