methyl N-[3-(6-{[(furan-2-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
Chemical Structure Depiction of
methyl N-[3-(6-{[(furan-2-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
methyl N-[3-(6-{[(furan-2-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
Compound characteristics
| Compound ID: | G395-0851 |
| Compound Name: | methyl N-[3-(6-{[(furan-2-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C19 H24 N6 O4 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1nnc2ccc(NCc3ccco3)nn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.563 |
| logD: | 1.563 |
| logSw: | -1.8117 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.193 |
| InChI Key: | XWNYQSORDLHEES-SFHVURJKSA-N |