2-chloro-1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-chloro-1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
2-chloro-1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V008-3278 |
| Compound Name: | 2-chloro-1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 475.42 |
| Molecular Formula: | C23 H28 Cl2 N6 O |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3216 |
| logD: | 5.1985 |
| logSw: | -5.8443 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.144 |
| InChI Key: | DCNPZUPECMVFBW-UHFFFAOYSA-N |