methyl 4-[3-(6-{[(furan-2-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(6-{[(furan-2-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
methyl 4-[3-(6-{[(furan-2-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | G395-0850 |
| Compound Name: | methyl 4-[3-(6-{[(furan-2-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate |
| Molecular Weight: | 420.43 |
| Molecular Formula: | C21 H20 N6 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CCc1nnc2ccc(NCc3ccco3)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2765 |
| logD: | 2.2763 |
| logSw: | -2.7066 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.247 |
| InChI Key: | FFGLSEBTGFOFKW-UHFFFAOYSA-N |