1-[(4-chlorophenyl)methyl]-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
1-[(4-chlorophenyl)methyl]-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
Compound characteristics
| Compound ID: | 8008-8990 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate |
| Molecular Weight: | 302.76 |
| Molecular Formula: | C15 H15 Cl N4 O |
| Smiles: | CCc1c(c2n(Cc3ccc(cc3)[Cl])nc[n+]2nc1C)[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.0946 |
| logD: | 3.0934 |
| logSw: | -2.9731 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.306 |
| InChI Key: | LLBAMOJKYWQNOG-UHFFFAOYSA-N |