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321522-13-8

321522-13-8 structural image
Product Name: ETHYL 5-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-3-(1,3-DIOXO-1,3-DIHYDRO-2H-INDEN-2-YLIDEN)-4,6-DIOXOOCTAHYDROPYRROLO[3,4-C]PYRROLE-1-CARBOXYLATE
Formula: C25H18ClF3N4O6
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COMPUTED DESCRIPTORS

Molecular Weight 562.9 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 6
Exact Mass 562.0866965 g/mol
Monoisotopic Mass 562.0866965 g/mol
Topological Polar Surface Area 130 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 1160
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes