865660-06-6
Product Name:
Methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Formula:
C18H15F3N2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 396.3 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 396.09330607 g/mol |
| Monoisotopic Mass | 396.09330607 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 763 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |