(3-nitrophenyl){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
(3-nitrophenyl){4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(3-nitrophenyl){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: | V014-7227 |
| Compound Name: | (3-nitrophenyl){4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 527.58 |
| Molecular Formula: | C28 H29 N7 O4 |
| Smiles: | C1CN(CCN(C1)c1c2cnn(c3ccccc3)c2nc(C2CCOCC2)n1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4923 |
| logD: | 4.4765 |
| logSw: | -4.2796 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 94.62 |
| InChI Key: | WDNBQRQKLLITBL-UHFFFAOYSA-N |