2-(4-fluorophenyl)-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
2-(4-fluorophenyl)-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-1098 |
| Compound Name: | 2-(4-fluorophenyl)-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C24 H25 F N6 O2 |
| Smiles: | C1CC2=C(CCC1C(N1CCN(CC1)c1ncccn1)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.473 |
| logD: | 1.3916 |
| logSw: | -2.7659 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.464 |
| InChI Key: | JOQJIKPMZFINHG-QGZVFWFLSA-N |