methyl N-[3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
Chemical Structure Depiction of
methyl N-[3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
methyl N-[3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
Compound characteristics
| Compound ID: | G395-0756 |
| Compound Name: | methyl N-[3-(6-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C21 H25 Cl N6 O3 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1nnc2ccc(NCc3ccccc3[Cl])nn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5944 |
| logD: | 2.5944 |
| logSw: | -3.2661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.444 |
| InChI Key: | WVFSRCLVTAOEEM-FQEVSTJZSA-N |