1324847-75-7
Product Name:
methyl (2R)-4-methylsulfanyl-2-[[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)benzoyl]amino]butanoate
Formula:
C18H19N5O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.4 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 401.11577528 g/mol |
| Monoisotopic Mass | 401.11577528 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 540 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |