2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P032-0820 |
| Compound Name: | 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C24 H23 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6857 |
| logD: | 2.6524 |
| logSw: | -2.8419 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.377 |
| InChI Key: | IRORJTITLAXCIU-UHFFFAOYSA-N |