2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | Z223-0977 |
| Compound Name: | 2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | C1CCCN(CC1)c1c2cnn(CC(NCc3ccc4c(c3)OCO4)=O)c2ncn1 |
| Stereo: | ACHIRAL |
| logP: | 3.0134 |
| logD: | 3.0118 |
| logSw: | -3.0472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.643 |
| InChI Key: | UBKWABNQOSNDTE-UHFFFAOYSA-N |