311773-57-6
Product Name:
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C22H16ClF3N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 444.8 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 444.0964733 g/mol |
| Monoisotopic Mass | 444.0964733 g/mol |
| Topological Polar Surface Area | 83 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 859 |
| 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 |