2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P032-1016 |
| Compound Name: | 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C25 H25 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(N3CCN(CC3)c3ccccc3F)=O)C(N2C(c2ccc(C)cc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.242 |
| logD: | 3.1156 |
| logSw: | -3.4178 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.076 |
| InChI Key: | CZTPXZXEAKCNEF-UHFFFAOYSA-N |