6-(3,4-dimethylphenyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(3,4-dimethylphenyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
6-(3,4-dimethylphenyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | M452-1245 |
| Compound Name: | 6-(3,4-dimethylphenyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C25 H25 F N6 O2 |
| Smiles: | Cc1ccc(cc1C)C1C=CC2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1192 |
| logD: | 4.1192 |
| logSw: | -4.186 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.41 |
| InChI Key: | IRIPMSCKDBOYKS-UHFFFAOYSA-N |