7-(3,5-dimethylphenyl)-3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3,5-dimethylphenyl)-3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3,5-dimethylphenyl)-3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G423-0259 |
| Compound Name: | 7-(3,5-dimethylphenyl)-3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C27 H29 F N6 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C=Cn2c(CCCC(N3CCN(CC3)c3ccc(cc3)F)=O)nnc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.4747 |
| logD: | 2.4746 |
| logSw: | -2.5785 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.749 |
| InChI Key: | OBRLSIQFCCJTFL-UHFFFAOYSA-N |