2-(4-methoxyphenyl)-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(4-methoxyphenyl)-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V017-9437 |
| Compound Name: | 2-(4-methoxyphenyl)-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C28 H32 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(Cc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2797 |
| logD: | 5.2138 |
| logSw: | -5.1647 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.416 |
| InChI Key: | SHUMZJOVFUFZPL-UHFFFAOYSA-N |