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306977-21-9

306977-21-9 structural image
Product Name: ETHYL N-(3-[(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)IMINO]-2-CYANOPROPANOYL)CARBAMATE
Formula: C15H15ClF3N5O3
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COMPUTED DESCRIPTORS

Molecular Weight 405.76 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 8
Exact Mass 405.0815515 g/mol
Monoisotopic Mass 405.0815515 g/mol
Topological Polar Surface Area 117 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 593
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