171734-43-3
Product Name:
Ethyl 2-[(trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Formula:
C13H14F3NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 321.32 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 321.06464897 g/mol |
| Monoisotopic Mass | 321.06464897 g/mol |
| Topological Polar Surface Area | 83.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 416 |
| 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 |