911826-05-6
Product Name:
[2-[5-cyano-2-[(2,4-dimethoxyphenyl)methylamino]anilino]-5-nitropyrimidin-4-yl] thiocyanate
Formula:
C21H17N7O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 463.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Exact Mass | 463.10627322 g/mol |
| Monoisotopic Mass | 463.10627322 g/mol |
| Topological Polar Surface Area | 187 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 750 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |