4-{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-carbonyl}benzonitrile
4-{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V004-5014 |
| Compound Name: | 4-{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 453.46 |
| Molecular Formula: | C24 H19 N7 O3 |
| Smiles: | C1CN(CCN1C(c1ccc(C#N)cc1)=O)c1nc2nccc(c3ccc4c(c3)OCO4)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5573 |
| logD: | 2.5573 |
| logSw: | -2.8837 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.22 |
| InChI Key: | MKTJNKBMUTWWIS-UHFFFAOYSA-N |