7-(3,5-dimethylphenyl)-3-{4-[4-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3,5-dimethylphenyl)-3-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G423-0276 |
| Compound Name: | 7-(3,5-dimethylphenyl)-3-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 498.63 |
| Molecular Formula: | C29 H34 N6 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C=Cn2c(CCCC(N3CCN(CC3)c3cccc(C)c3C)=O)nnc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4476 |
| logD: | 3.4476 |
| logSw: | -3.689 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.448 |
| InChI Key: | XNUJYVIWADXKPZ-UHFFFAOYSA-N |