1100617-38-6
Product Name:
(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-4,5-dihydro-2-benzoxepin-1(3H)-one
Formula:
C27H20ClNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 425.9 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 425.1182566 g/mol |
| Monoisotopic Mass | 425.1182566 g/mol |
| Topological Polar Surface Area | 39.2 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 651 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |