ethyl 4-oxo-4-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butanoate
Chemical Structure Depiction of
ethyl 4-oxo-4-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butanoate
ethyl 4-oxo-4-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butanoate
Compound characteristics
| Compound ID: | V013-1429 |
| Compound Name: | ethyl 4-oxo-4-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butanoate |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C27 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | CCCC(C)c1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(CCC(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8379 |
| logD: | 4.7263 |
| logSw: | -4.3426 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.312 |
| InChI Key: | MYWLAJKIOMWLNI-FQEVSTJZSA-N |