940950-20-9
Product Name:
methyl 2-(1-(2-(trifluoromethyl)-4-(methylsulfonyl)benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
Formula:
C21H20F3NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 440.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 440.10176275 g/mol |
| Monoisotopic Mass | 440.10176275 g/mol |
| Topological Polar Surface Area | 86.6 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 725 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |