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312940-18-4

312940-18-4 structural image
Product Name: ethyl 2-({2,4-bisnitrobenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Formula: C17H15N3O7S
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COMPUTED DESCRIPTORS

Molecular Weight 405.4 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 405.06307100 g/mol
Monoisotopic Mass 405.06307100 g/mol
Topological Polar Surface Area 175 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 650
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes