4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide
4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V021-7319 |
| Compound Name: | 4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-cyclohexyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 524.11 |
| Molecular Formula: | C28 H38 Cl N7 O |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1752 |
| logD: | 7.0521 |
| logSw: | -6.3592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.268 |
| InChI Key: | JAISFCCZDYCHJN-UHFFFAOYSA-N |