1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-ethylhexan-1-one
Chemical Structure Depiction of
1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-ethylhexan-1-one
1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-ethylhexan-1-one
Compound characteristics
| Compound ID: | V009-2134 |
| Compound Name: | 1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-ethylhexan-1-one |
| Molecular Weight: | 524.71 |
| Molecular Formula: | C32 H40 N6 O |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8118 |
| logD: | 6.71 |
| logSw: | -5.9056 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | PATJPMZCPCURLB-SANMLTNESA-N |