{4-[6-ethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone
Chemical Structure Depiction of
{4-[6-ethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone
{4-[6-ethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | V028-2516 |
| Compound Name: | {4-[6-ethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Salt: | not_available |
| Smiles: | CCc1nc(c2cnn(c3ccc(C)cc3)c2n1)N1CCCN(CC1)C(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9475 |
| logD: | 4.8957 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.944 |
| InChI Key: | MUDGAWZNRCAXLX-UHFFFAOYSA-N |