477872-97-2
Product Name:
4-(METHYLAMINO)-2-(4-PYRIDINYL)-6-[3-(TRIFLUOROMETHYL)PHENYL]-5-PYRIMIDINECARBONITRILE
Formula:
C18H12F3N5
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COMPUTED DESCRIPTORS
| Molecular Weight | 355.3 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 355.10447989 g/mol |
| Monoisotopic Mass | 355.10447989 g/mol |
| Topological Polar Surface Area | 74.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 511 |
| 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 |