799777-05-2
Product Name:
N-[(E)-3-(azepan-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-bromobenzamide
Formula:
C20H21BrN2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 433.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 432.05071 g/mol |
| Monoisotopic Mass | 432.05071 g/mol |
| Topological Polar Surface Area | 77.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 532 |
| 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 |