(3-chlorophenyl){4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(3-chlorophenyl){4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(3-chlorophenyl){4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V011-1636 |
| Compound Name: | (3-chlorophenyl){4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 537.49 |
| Molecular Formula: | C28 H30 Cl2 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.0671 |
| logD: | 6.9441 |
| logSw: | -6.4611 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.4 |
| InChI Key: | QANITVJQKMGIGQ-UHFFFAOYSA-N |