2-(4-methoxyphenyl)-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(4-methoxyphenyl)-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V025-8374 |
| Compound Name: | 2-(4-methoxyphenyl)-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 526.64 |
| Molecular Formula: | C30 H34 N6 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(CC(N2CCCN(CC2)c2c3cnn(c4ccccc4)c3nc(C3CCOCC3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8921 |
| logD: | 4.8764 |
| logSw: | -4.5469 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.255 |
| InChI Key: | YKZCDCPJCOKWNN-UHFFFAOYSA-N |