AC1OH9IE
ethyl 2-[[3-[2-[(4-methylbenzoyl)amino]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate
Also Known As: F2007-0222|ethyl 2-[(3-{2-[(4-methylphenyl)formamido]ethyl}-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate|ethyl 2-((3-(2-(4-methylbenzamido)ethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate|ethyl 2-[[3-[2-[(4-methylbenzoyl)amino]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate
CAS: 872995-35-2
| Molecular Formula | C19H21N5O3S |
|---|---|
| Molecular Weight | 399.1365 g/mol |
| LogP | 2.06042 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.1365 |
| Monoisotopic Mass | 399.1365 |
| Heavy Atoms | 28 |
| Complexity | 971.3645 |
Chemical Identifiers
| CAS Number | 872995-35-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN2C(=NN=C2CCNC(=O)C3=CC=C(C=C3)C)C=C1 |
Product Overview
AC1OH9IE (CAS 872995-35-2), with molecular formula C19H21N5O3S and molecular weight 399.1365 g/mol. IUPAC: ethyl 2-[[3-[2-[(4-methylbenzoyl)amino]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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