7-(3,5-dimethylphenyl)-3-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(3,5-dimethylphenyl)-3-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3,5-dimethylphenyl)-3-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G298-0389 |
| Compound Name: | 7-(3,5-dimethylphenyl)-3-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C28 H32 N6 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C=Cn2c(CCC(N3CCN(CC3)c3cccc(C)c3C)=O)nnc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1668 |
| logD: | 3.1667 |
| logSw: | -3.1983 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.448 |
| InChI Key: | KLMWICFLFHKBDU-UHFFFAOYSA-N |