488813-31-6
Product Name:
ethyl 2-(6-iodo-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanoate
Formula:
C16H17IN2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 444.3 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 444.00046 g/mol |
| Monoisotopic Mass | 444.00046 g/mol |
| Topological Polar Surface Area | 84.3 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 512 |
| 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 |