855473-48-2
Product Name:
methyl 2-[(3R)-3-(acetylsulfanyl)-3-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}propyl]benzoate
Formula:
C30H26ClNO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 516.0 g/mol |
|---|---|
| XLogP3 | 7.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Exact Mass | 515.1321926 g/mol |
| Monoisotopic Mass | 515.1321926 g/mol |
| Topological Polar Surface Area | 81.6 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 761 |
| 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 |