909659-02-5
Product Name:
1-(3,5-Difluorobenzyl)-4-([6-(trifluoromethyl)pyridin-3-yl]methyl)-1,4-diazepan-5-one
Formula:
C19H18F5N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 399.13700302 g/mol |
| Monoisotopic Mass | 399.13700302 g/mol |
| Topological Polar Surface Area | 36.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 522 |
| 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 |