{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone
Chemical Structure Depiction of
{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone
{4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone
Compound characteristics
| Compound ID: | V025-0729 |
| Compound Name: | {4-[3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C24 H26 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(c(C)n1)c(nc(C)n2)N1CCCN(CC1)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6611 |
| logD: | 3.3416 |
| logSw: | -3.9326 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.953 |
| InChI Key: | MFFINMBVUQUYLD-UHFFFAOYSA-N |