497241-23-3
Product Name:
4-iodo-2-methyl-6-(7-methyl-4-oxo-2,3,5,6,7,8-hexahydro-1H-pyrido[2,3]thieno[2,4-d]pyrimidin-7-ium-2-yl)phenolate
Formula:
C17H18IN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.3 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 455.01645 g/mol |
| Monoisotopic Mass | 455.01645 g/mol |
| Topological Polar Surface Area | 92.8 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 510 |
| 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 |