ethyl 4-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
ethyl 4-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | V011-0453 |
| Compound Name: | ethyl 4-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C30 H33 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(Cc2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4544 |
| logD: | 4.3526 |
| logSw: | -4.5321 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.384 |
| InChI Key: | IXFPDQVIEYVRQO-UHFFFAOYSA-N |