2-(4-fluorophenyl)-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-fluorophenyl)-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(4-fluorophenyl)-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: | V020-7386 |
| Compound Name: | 2-(4-fluorophenyl)-1-[4-(1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C27 H29 F N6 O |
| Smiles: | CCCc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3264 |
| logD: | 5.2605 |
| logSw: | -5.2259 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.872 |
| InChI Key: | KZCWCVBXMXCSQX-UHFFFAOYSA-N |