{4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-methoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-methoxyphenyl)methanone
{4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | V026-1611 |
| Compound Name: | {4-[3,6-dimethyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-methoxyphenyl)methanone |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c2c(c(C)n1)c(nc(C)n2)N1CCCN(CC1)C(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1837 |
| logD: | 3.5712 |
| logSw: | -4.5645 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.618 |
| InChI Key: | UEMGJWWHPZAIHP-UHFFFAOYSA-N |