1011412-52-4
Product Name:
2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Formula:
C21H22ClNO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.9 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 403.1186505 g/mol |
| Monoisotopic Mass | 403.1186505 g/mol |
| Topological Polar Surface Area | 76.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 559 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |