ethyl 4-oxo-4-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butanoate
Chemical Structure Depiction of
ethyl 4-oxo-4-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butanoate
ethyl 4-oxo-4-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butanoate
Compound characteristics
| Compound ID: | V012-8260 |
| Compound Name: | ethyl 4-oxo-4-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butanoate |
| Molecular Weight: | 464.57 |
| Molecular Formula: | C25 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(CCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0168 |
| logD: | 3.9509 |
| logSw: | -3.7478 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.303 |
| InChI Key: | HBSMQBIEWJASLU-UHFFFAOYSA-N |