{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-butoxyphenyl)methanone
Chemical Structure Depiction of
{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-butoxyphenyl)methanone
{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-butoxyphenyl)methanone
Compound characteristics
| Compound ID: | V019-7050 |
| Compound Name: | {4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-butoxyphenyl)methanone |
| Molecular Weight: | 592.72 |
| Molecular Formula: | C35 H37 F N6 O2 |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8879 |
| logD: | 6.7861 |
| logSw: | -6.009 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.899 |
| InChI Key: | QNVNVFMYMPWZNZ-UHFFFAOYSA-N |