4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide
4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V018-7820 |
| Compound Name: | 4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 518.06 |
| Molecular Formula: | C28 H32 Cl N7 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1576 |
| logD: | 5.6118 |
| logSw: | -6.1075 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.574 |
| InChI Key: | OYJABELFBBWDQG-UHFFFAOYSA-N |