519056-64-5
Product Name:
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE
Formula:
C14H12F3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 311.26 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 311.08816112 g/mol |
| Monoisotopic Mass | 311.08816112 g/mol |
| Topological Polar Surface Area | 70.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 383 |
| 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 |