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339103-90-1

339103-90-1 structural image
Product Name: ETHYL N-(2-ACETYL-3-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)ACRYLOYL)CARBAMATE
Formula: C18H20ClF3N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 448.8 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 448.1125173 g/mol
Monoisotopic Mass 448.1125173 g/mol
Topological Polar Surface Area 91.8 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 681
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