(2,4-dichlorophenyl){4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2,4-dichlorophenyl){4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(2,4-dichlorophenyl){4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V012-0410 |
| Compound Name: | (2,4-dichlorophenyl){4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 551.48 |
| Molecular Formula: | C28 H28 Cl2 N6 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1c2cnn(c3ccccc3)c2nc(C2CCOCC2)n1)C(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7647 |
| logD: | 5.749 |
| logSw: | -6.0951 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.238 |
| InChI Key: | NYUVWJGWKVGZGN-UHFFFAOYSA-N |