1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | V019-1338 |
| Compound Name: | 1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 498.63 |
| Molecular Formula: | C29 H34 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCC(C)c1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5918 |
| logD: | 5.4802 |
| logSw: | -5.4109 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.381 |
| InChI Key: | YATCFCHYMPSQLG-QFIPXVFZSA-N |