317833-32-2
Product Name:
5-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-2-METHYL-3-PHENYLDIHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-4,6(3H,5H)-DIONE
Formula:
C20H18ClF3N4O3
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COMPUTED DESCRIPTORS
Molecular Weight | 454.8 g/mol |
---|---|
XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 5 |
Exact Mass | 454.1019526 g/mol |
Monoisotopic Mass | 454.1019526 g/mol |
Topological Polar Surface Area | 74.8 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 691 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 3 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |