{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-methoxyphenyl)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}(3-methoxyphenyl)methanone
{4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | V025-0724 |
| Compound Name: | {4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-methoxyphenyl)methanone |
| Molecular Weight: | 500.6 |
| Molecular Formula: | C28 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(c(C)n1)c(nc(COC)n2)N1CCCN(CC1)C(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9667 |
| logD: | 3.7273 |
| logSw: | -4.3338 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.72 |
| InChI Key: | BUVRASXBJHTQCA-UHFFFAOYSA-N |