111664-35-8
Product Name:
Bisacodyl Related Compound E (20 mg) (2-[(4-Acetoxyphenyl)(pyridin-2-yl)methyl]phenyl acetate)
Formula:
C22H19NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 361.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 361.13140809 g/mol |
| Monoisotopic Mass | 361.13140809 g/mol |
| Topological Polar Surface Area | 65.5 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 501 |
| 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 |