7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Chemical Structure Depiction of
7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-0435 |
| Compound Name: | 7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C26 H27 F N4 O2 |
| Smiles: | C1CC2=C(CCC1C(N1CCN(CC1)c1ccccc1F)=O)N=C(c1ccccc1)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3527 |
| logD: | 2.9964 |
| logSw: | -3.457 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.801 |
| InChI Key: | ONSXXIQHLGHZHK-IBGZPJMESA-N |