338422-63-2
Product Name:
1-[5-(([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)METHYL)-4,5-DIHYDRO-3-ISOXAZOLYL]-3-(4-METHOXYANILINO)-2-PROPEN-1-ONE
Formula:
C20H18ClF3N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.8 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 454.1019526 g/mol |
| Monoisotopic Mass | 454.1019526 g/mol |
| Topological Polar Surface Area | 84.8 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 669 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |