311328-71-9
Product Name:
2-amino-7,7-dimethyl-5-oxo-4-(3-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C23H20F3N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 443.5 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 443.12791793 g/mol |
| Monoisotopic Mass | 443.12791793 g/mol |
| Topological Polar Surface Area | 98.4 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 882 |
| 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 |