354154-54-4
Product Name:
2-(4H-1,2,4-triazol-3-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethanone
Formula:
C23H26N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.5 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 406.18273264 g/mol |
| Monoisotopic Mass | 406.18273264 g/mol |
| Topological Polar Surface Area | 87.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 599 |
| 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 |