946385-97-3
Product Name:
tert-butyl 4-{5-cyano-[2,3-bipyridine]-6-yl}-1,4-diazepane-1-carboxylate
Formula:
C21H25N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 379.5 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 379.20082506 g/mol |
| Monoisotopic Mass | 379.20082506 g/mol |
| Topological Polar Surface Area | 82.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 581 |
| 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 |