339106-04-6
Product Name:
2-[2-BENZOYL-5-(TRIFLUOROMETHYL)-3-PYRIDINYL]-2-MORPHOLINO-2-PHENYLACETONITRILE
Formula:
C25H20F3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 451.4 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 451.15076138 g/mol |
| Monoisotopic Mass | 451.15076138 g/mol |
| Topological Polar Surface Area | 66.2 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 718 |
| 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 |