1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
Compound characteristics
| Compound ID: | M454-0313 |
| Compound Name: | 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C28 H32 N6 O |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCc1nnc2ccc(c3ccc(C)c(C)c3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8419 |
| logD: | 4.8418 |
| logSw: | -4.5693 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.453 |
| InChI Key: | KDAHYGYUVSJXOC-UHFFFAOYSA-N |