ethyl 4-[4-(6-benzyl-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-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-oxobutanoate
ethyl 4-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-oxobutanoate
Compound characteristics
| Compound ID: | V012-0348 |
| Compound Name: | ethyl 4-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-4-oxobutanoate |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C29 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5085 |
| logD: | 4.4981 |
| logSw: | -4.1284 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.031 |
| InChI Key: | XYBOLEILJHCPOQ-UHFFFAOYSA-N |