865658-66-8
Product Name:
(E)-3-(4-BROMOANILINO)-1-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]-2-PROPEN-1-ONE
Formula:
C21H19BrN2O
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COMPUTED DESCRIPTORS
Molecular Weight | 395.3 g/mol |
---|---|
XLogP3 | 5.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 5 |
Exact Mass | 394.06808 g/mol |
Monoisotopic Mass | 394.06808 g/mol |
Topological Polar Surface Area | 34 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 455 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |