338399-55-6
Product Name:
N-[4-(TERT-BUTYL)PHENYL]-5-(([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)METHYL)-4,5-DIHYDRO-3-ISOXAZOLECARBOXAMIDE
Formula:
C21H22ClF3N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.9 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 454.1383381 g/mol |
| Monoisotopic Mass | 454.1383381 g/mol |
| Topological Polar Surface Area | 75.6 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 660 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |