1-(4-benzylpiperazin-1-yl)-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperazin-1-yl)-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
1-(4-benzylpiperazin-1-yl)-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
Compound characteristics
| Compound ID: | G395-1309 |
| Compound Name: | 1-(4-benzylpiperazin-1-yl)-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H28 F N7 O |
| Smiles: | C(Cc1nnc2ccc(NCc3ccc(cc3)F)nn12)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0735 |
| logD: | 2.0406 |
| logSw: | -2.4609 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.108 |
| InChI Key: | HBMVSOMXBWCTQF-UHFFFAOYSA-N |