ethyl 4-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-oxobutanoate
ethyl 4-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-oxobutanoate
Compound characteristics
| Compound ID: | V009-2125 |
| Compound Name: | ethyl 4-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-oxobutanoate |
| Molecular Weight: | 526.64 |
| Molecular Formula: | C30 H34 N6 O3 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3037 |
| logD: | 4.202 |
| logSw: | -4.4504 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.384 |
| InChI Key: | ZAKCQAYKBXEIBW-UHFFFAOYSA-N |