339011-50-6
Product Name:
4-([2-(ISOPROPYLAMINO)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINYL]OXY)BENZENECARBONITRILE
Formula:
C15H13F3N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 322.28 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 322.10414554 g/mol |
| Monoisotopic Mass | 322.10414554 g/mol |
| Topological Polar Surface Area | 70.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 426 |
| 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 |