7-(3,4-dimethylphenyl)-3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3,4-dimethylphenyl)-3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3,4-dimethylphenyl)-3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G423-0214 |
| Compound Name: | 7-(3,4-dimethylphenyl)-3-{4-[4-(2,5-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: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCCc1nnc2C(N(C=Cn12)c1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.555 |
| logD: | 3.5549 |
| logSw: | -3.6767 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.448 |
| InChI Key: | KNTWTTHVTBZCON-UHFFFAOYSA-N |