834884-89-8
Product Name:
[(5-BROMO-2-THIENYL)(4-TERT-BUTOXYCARBONYL)-1,4-DIAZEPAN-1-YL]ACETIC ACID
Formula:
C16H23BrN2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 419.3 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 418.05619 g/mol |
| Monoisotopic Mass | 418.05619 g/mol |
| Topological Polar Surface Area | 98.3 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 472 |
| 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 |