4-ethyl-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4-ethyl-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4-ethyl-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D527-0157 |
| Compound Name: | 4-ethyl-6-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C27 H29 F N6 O2 |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(N2CCN(CC2)c2ccc(cc2)F)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.851 |
| logD: | 3.851 |
| logSw: | -3.8475 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.86 |
| InChI Key: | RJUWXYDYSKOQDS-UHFFFAOYSA-N |