methyl N-[3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
Chemical Structure Depiction of
methyl N-[3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
methyl N-[3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
Compound characteristics
| Compound ID: | G395-1333 |
| Compound Name: | methyl N-[3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C21 H25 F N6 O3 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1nnc2ccc(NCc3ccc(cc3)F)nn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8415 |
| logD: | 1.8415 |
| logSw: | -2.1481 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.444 |
| InChI Key: | RYBMCZNMISAWPI-FQEVSTJZSA-N |