(2H-1,3-benzodioxol-5-yl){4-[1-phenyl-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[1-phenyl-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[1-phenyl-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V026-9596 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[1-phenyl-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 484.56 |
| Molecular Formula: | C27 H28 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7102 |
| logD: | 4.6457 |
| logSw: | -4.4396 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.525 |
| InChI Key: | VNDFDNPOYSOYLA-UHFFFAOYSA-N |