N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Compound characteristics
| Compound ID: | G395-1269 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 448.46 |
| Molecular Formula: | C23 H21 F N6 O3 |
| Smiles: | C(Cc1nnc2ccc(NCc3ccc(cc3)F)nn12)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0775 |
| logD: | 2.0775 |
| logSw: | -2.7894 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.762 |
| InChI Key: | LCTGFKGQMVCWLR-UHFFFAOYSA-N |