2-(4-fluorophenyl)-7-[4-(propan-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-(propan-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
2-(4-fluorophenyl)-7-[4-(propan-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-1089 |
| Compound Name: | 2-(4-fluorophenyl)-7-[4-(propan-2-yl)piperazine-1-carbonyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C23 H29 F N4 O2 |
| Smiles: | CC(C)N1CCN(CC1)C(C1CCC2=C(CC1)N=C(c1ccc(cc1)F)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.327 |
| logD: | 2.327 |
| logSw: | -2.8878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.705 |
| InChI Key: | SNYHDGIUMLZVCY-QGZVFWFLSA-N |