242797-12-2
Product Name:
4-[(3-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]OXY)ANILINO)METHYL]-1(2H)-PHTHALAZINONE
Formula:
C21H14ClF3N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.8 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.0757379 g/mol |
| Monoisotopic Mass | 446.0757379 g/mol |
| Topological Polar Surface Area | 75.6 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 678 |
| 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 |