477709-30-1
Product Name:
ETHYL 5-(2-(2-OXO-2-[2-(TRIFLUOROMETHYL)ANILINO]ACETYL)-1H-PYRROL-1-YL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
Formula:
C25H19F3N4O4
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COMPUTED DESCRIPTORS
Molecular Weight | 496.4 g/mol |
---|---|
XLogP3 | 4.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 8 |
Exact Mass | 496.13583959 g/mol |
Monoisotopic Mass | 496.13583959 g/mol |
Topological Polar Surface Area | 95.2 Ų |
Heavy Atom Count | 36 |
Formal Charge | 0 |
Complexity | 805 |
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 |