3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-7-(4-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-7-(4-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-7-(4-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G423-0108 |
| Compound Name: | 3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-7-(4-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C27 H29 F N6 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCCc1nnc2C(N(C=Cn12)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4364 |
| logD: | 2.4363 |
| logSw: | -2.5131 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.448 |
| InChI Key: | PMPLVUKOUMZYQR-UHFFFAOYSA-N |