methyl 4-[3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
methyl 4-[3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | G395-1044 |
| Compound Name: | methyl 4-[3-(6-{[(pyridin-3-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C22 H21 N7 O3 |
| Smiles: | COC(c1ccc(cc1)NC(CCc1nnc2ccc(NCc3cccnc3)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2981 |
| logD: | 1.2687 |
| logSw: | -1.1877 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.016 |
| InChI Key: | BEDILGJXHJIXOG-UHFFFAOYSA-N |