172336-32-2
Product Name:
Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate
Formula:
C27H28FNO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 449.5 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 449.20023654 g/mol |
| Monoisotopic Mass | 449.20023654 g/mol |
| Topological Polar Surface Area | 79.6 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 661 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |