4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-butyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-butyl-1,4-diazepane-1-carboxamide
4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-butyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V011-0477 |
| Compound Name: | 4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-butyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C29 H34 F N7 O |
| Salt: | not_available |
| Smiles: | CCCCNC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.739 |
| logD: | 5.6372 |
| logSw: | -5.6386 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.737 |
| InChI Key: | ZJNIPESYYCLGKD-UHFFFAOYSA-N |