methyl N-{3-[6-(benzylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
Chemical Structure Depiction of
methyl N-{3-[6-(benzylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
methyl N-{3-[6-(benzylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
Compound characteristics
| Compound ID: | G395-0562 |
| Compound Name: | methyl N-{3-[6-(benzylamino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1nnc2ccc(NCc3ccccc3)nn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8124 |
| logD: | 1.8124 |
| logSw: | -1.9158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.444 |
| InChI Key: | LHWNZRYOTRUZOE-FQEVSTJZSA-N |