1-{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
1-{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V026-7984 |
| Compound Name: | 1-{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Salt: | not_available |
| Smiles: | CC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(C)cc3)c2nc(COC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8396 |
| logD: | 2.6002 |
| logSw: | -3.2134 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.916 |
| InChI Key: | DXCXNHRUHZLJQJ-UHFFFAOYSA-N |