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374764-33-7

374764-33-7 structural image
Product Name: 1-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Formula: C29H27N5O4
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COMPUTED DESCRIPTORS

Molecular Weight 509.6 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 509.20630436 g/mol
Monoisotopic Mass 509.20630436 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 791
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes