425682-37-7
Product Name:
3-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
Formula:
C22H18BrN5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 496.4 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 495.03646 g/mol |
| Monoisotopic Mass | 495.03646 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 633 |
| 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 |