{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | V025-0700 |
| Compound Name: | {4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C28 H32 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(C)cc3)c2nc(COC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.412 |
| logD: | 4.1726 |
| logSw: | -4.4548 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.177 |
| InChI Key: | AOLHOWPHTOKWHE-UHFFFAOYSA-N |