353461-48-0
Product Name:
ethyl 2-amino-4-(5-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Formula:
C20H21BrFNO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.3 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 437.06380 g/mol |
| Monoisotopic Mass | 437.06380 g/mol |
| Topological Polar Surface Area | 78.6 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 715 |
| 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 |