[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3,5-dimethoxyphenyl)methanone
Chemical Structure Depiction of
[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3,5-dimethoxyphenyl)methanone
[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3,5-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | V027-0665 |
| Compound Name: | [4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3,5-dimethoxyphenyl)methanone |
| Molecular Weight: | 548.65 |
| Molecular Formula: | C32 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)C(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7095 |
| logD: | 5.699 |
| logSw: | -5.4757 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.216 |
| InChI Key: | ZZUSAUNNDQPUMS-UHFFFAOYSA-N |