4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-butyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-butyl-1,4-diazepane-1-carboxamide
4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-butyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V018-9795 |
| Compound Name: | 4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-butyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 483.62 |
| Molecular Formula: | C28 H33 N7 O |
| Salt: | not_available |
| Smiles: | CCCCNC(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7931 |
| logD: | 5.7827 |
| logSw: | -5.4778 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.384 |
| InChI Key: | UKNNYYFYONMCQM-UHFFFAOYSA-N |