[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3-chlorophenyl)methanone
Chemical Structure Depiction of
[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3-chlorophenyl)methanone
[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3-chlorophenyl)methanone
Compound characteristics
| Compound ID: | V009-2137 |
| Compound Name: | [4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3-chlorophenyl)methanone |
| Molecular Weight: | 537.06 |
| Molecular Formula: | C31 H29 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccccc2)n1)N1CCCN(CC1)C(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8837 |
| logD: | 5.7819 |
| logSw: | -6.0255 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.481 |
| InChI Key: | SDBQAXNVHINKLR-UHFFFAOYSA-N |