(2H-1,3-benzodioxol-5-yl){4-[5-(propan-2-yl)[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-[5-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-7-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[5-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-7-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | P664-1316 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[5-(propan-2-yl)[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: | CC(C)c1cc(nc2nncn12)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2146 |
| logD: | 2.2146 |
| logSw: | -2.7608 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.659 |
| InChI Key: | WDDSBPNGZPJRIQ-UHFFFAOYSA-N |