4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-(propan-2-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-(propan-2-yl)-1,4-diazepane-1-carboxamide
4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-(propan-2-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V026-8622 |
| Compound Name: | 4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-(propan-2-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C22 H28 Cl N7 O |
| Salt: | not_available |
| Smiles: | CC(C)NC(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3[Cl])c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8161 |
| logD: | 3.4966 |
| logSw: | -4.1008 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.463 |
| InChI Key: | HASCUECKGSVAIC-UHFFFAOYSA-N |