1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V009-2146 |
| Compound Name: | 1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 546.67 |
| Molecular Formula: | C33 H34 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccccc2)n1)N1CCCN(CC1)C(Cc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5667 |
| logD: | 5.4649 |
| logSw: | -5.6491 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.498 |
| InChI Key: | AAMVZRRDJVTTDW-UHFFFAOYSA-N |