8-(2,3-dimethylphenoxy)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
8-(2,3-dimethylphenoxy)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
8-(2,3-dimethylphenoxy)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | M446-1533 |
| Compound Name: | 8-(2,3-dimethylphenoxy)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C25 H25 F N6 O3 |
| Smiles: | Cc1cccc(c1C)OC1C2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7178 |
| logD: | 2.7178 |
| logSw: | -2.8128 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.804 |
| InChI Key: | IHBDRXXTJGBAOW-UHFFFAOYSA-N |