863004-99-3
Product Name:
N-(4-ethoxyphenyl)-2-(2-(furan-2-yl)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamide
Formula:
C23H22N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 422.5 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 422.13002836 g/mol |
| Monoisotopic Mass | 422.13002836 g/mol |
| Topological Polar Surface Area | 97.1 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 596 |
| 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 |