{4-[6-(methoxymethyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Chemical Structure Depiction of
{4-[6-(methoxymethyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(phenyl)methanone
{4-[6-(methoxymethyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | V026-8535 |
| Compound Name: | {4-[6-(methoxymethyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(phenyl)methanone |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C26 H28 N6 O2 |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)c(nc(COC)n2)N1CCCN(CC1)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0883 |
| logD: | 4.0598 |
| logSw: | -3.9985 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.824 |
| InChI Key: | VJCZEEDHUXEZJQ-UHFFFAOYSA-N |