391874-98-9
Product Name:
ethyl 2-((5-(5-bromo-2-chlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)propanoate
Formula:
C14H13BrClN3O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 450.8 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 448.92702 g/mol |
| Monoisotopic Mass | 448.92702 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 463 |
| 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 |