2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | Z223-0971 |
| Compound Name: | 2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | COc1ccc(CNC(Cn2c3c(cn2)c(ncn3)N2CCCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0827 |
| logD: | 3.0811 |
| logSw: | -3.1158 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.071 |
| InChI Key: | OYUZAIUABBXDQR-UHFFFAOYSA-N |