3787-35-7
Product Name:
Methyl(4-bromo-3-methylisothiazol-5-yl) ketone 4-(3-methoxypropyl)thiosemicarbazone
Formula:
C11H17BrN4OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 365.3 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 364.00272 g/mol |
| Monoisotopic Mass | 364.00272 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 330 |
| 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 |