(2H-1,3-benzodioxol-5-yl){4-[6-ethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[6-ethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[6-ethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V026-4257 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[6-ethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C26 H26 N6 O3 |
| Smiles: | CCc1nc(c2cnn(c3ccc(C)cc3)c2n1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5352 |
| logD: | 4.4834 |
| logSw: | -4.176 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.184 |
| InChI Key: | ZWUABRZKUYEQCC-UHFFFAOYSA-N |