ethyl 4-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
ethyl 4-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | V020-2650 |
| Compound Name: | ethyl 4-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C28 H37 F N6 O3 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CCC(C)C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.677 |
| logD: | 4.0187 |
| logSw: | -4.4643 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.656 |
| InChI Key: | YYNSFLKENQZJLL-UHFFFAOYSA-N |