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 |