2-[4-({2-[4-(2-fluorobenzoyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile
Chemical Structure Depiction of
2-[4-({2-[4-(2-fluorobenzoyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile
2-[4-({2-[4-(2-fluorobenzoyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile
Compound characteristics
| Compound ID: | V023-2850 |
| Compound Name: | 2-[4-({2-[4-(2-fluorobenzoyl)piperazin-1-yl]-6-oxo-1,6-dihydropyrimidin-4-yl}methyl)piperazin-1-yl]benzonitrile |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C27 H28 F N7 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1CC1=CC(NC(=N1)N1CCN(CC1)C(c1ccccc1F)=O)=O)c1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 1.8454 |
| logD: | 0.8124 |
| logSw: | -2.752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.567 |
| InChI Key: | CRFDXCZPYAJILA-UHFFFAOYSA-N |