311793-40-5
Product Name:
2-amino-4-(5-tert-butyl-2-thienyl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C25H26ClN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.0 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 451.1485113 g/mol |
| Monoisotopic Mass | 451.1485113 g/mol |
| Topological Polar Surface Area | 98.4 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 864 |
| 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 |