1025586-73-5
Product Name:
2-(2,2-DIMETHYLPROPANOYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE
Formula:
C19H17N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 367.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 367.09906259 g/mol |
| Monoisotopic Mass | 367.09906259 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 612 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |