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85677-93-6

85677-93-6 structural image
Product Name: NIMODIPINE RELATED COMPOUND A (50 MG) (2-METHOXYETHYL 1-METHYLETHYL 2,6-DIMETHYL-4-(3-NITROPHENYL)PYRIDINE-3,5-DICARBOXYLATE)
Formula: C21H24N2O7
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2655

COMPUTED DESCRIPTORS

Molecular Weight 416.4 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 9
Exact Mass 416.15835111 g/mol
Monoisotopic Mass 416.15835111 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 607
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