860611-55-8
Product Name:
2-(5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)ETHYL 4-(TRIFLUOROMETHYL)BENZENECARBOXYLATE
Formula:
C20H17F3N2O3
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COMPUTED DESCRIPTORS
Molecular Weight | 390.4 g/mol |
---|---|
XLogP3 | 4.5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 6 |
Exact Mass | 390.11912689 g/mol |
Monoisotopic Mass | 390.11912689 g/mol |
Topological Polar Surface Area | 58.6 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 619 |
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 |