863004-85-7
Product Name:
N-(4-butylphenyl)-2-(2-(furan-2-yl)-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamide
Formula:
C25H26N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 434.6 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 434.16641387 g/mol |
| Monoisotopic Mass | 434.16641387 g/mol |
| Topological Polar Surface Area | 87.8 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 608 |
| 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 |