(2H-1,3-benzodioxol-5-yl)[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | P664-0463 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | CCc1nnc2nc(cc(C)n12)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9718 |
| logD: | 1.9717 |
| logSw: | -2.4198 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69 |
| InChI Key: | YOTQWCPCLGEPDG-UHFFFAOYSA-N |