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339020-52-9

339020-52-9 structural image
Product Name: ETHYL 3-(2-(2-[(ETHYLAMINO)CARBOTHIOYL]HYDRAZINO)-2-OXOETHOXY)PYRIDO[1,2-A]INDOLE-10-CARBOXYLATE
Formula: C20H22N4O4S
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COMPUTED DESCRIPTORS

Molecular Weight 414.5 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 414.13617637 g/mol
Monoisotopic Mass 414.13617637 g/mol
Topological Polar Surface Area 125 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 605
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