1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | V016-9546 |
| Compound Name: | 1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methylbutan-1-one |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C28 H32 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4708 |
| logD: | 5.4604 |
| logSw: | -5.3924 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.872 |
| InChI Key: | NXTGZFKZFXDFNO-UHFFFAOYSA-N |