252059-85-1
Product Name:
1-(4-NITROBENZYL)-2-OXO-6-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
Formula:
C20H12F3N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.3 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 399.08307574 g/mol |
| Monoisotopic Mass | 399.08307574 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 767 |
| 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 |