321430-39-1
Product Name:
Methyl 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-([(dimethylamino)methylene]amino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Formula:
C18H18ClF3N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.9 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.0791092 g/mol |
| Monoisotopic Mass | 446.0791092 g/mol |
| Topological Polar Surface Area | 86.3 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 624 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |