N-(3-chlorophenyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
N-(3-chlorophenyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V021-7342 |
| Compound Name: | N-(3-chlorophenyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 552.51 |
| Molecular Formula: | C28 H31 Cl2 N7 O |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.6023 |
| logD: | 7.4792 |
| logSw: | -6.4186 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.221 |
| InChI Key: | PNNQYHBWVQWVGI-UHFFFAOYSA-N |