7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-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-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-0046 |
| Compound Name: | 7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C21 H25 F N4 O2 |
| Smiles: | CC1NC(C2CCC(CCC=2N=1)C(N1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9137 |
| logD: | 1.9118 |
| logSw: | -2.4579 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.744 |
| InChI Key: | FKDOCDSNTDSXSF-HNNXBMFYSA-N |