nd-13

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 7
Total Number of Articles : 4
PubChem 1367070
Molecular Formula

C24H21N3O5

SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=C(C(=C3)C)C)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5/c1-13-5-6-17(24-26-19-9-14(2)15(3)10-22(19)32-24)11-18(13)25-23(28)16-7-8-21(31-4)20(12-16)27(29)30/h5-12H,1-4H3,(H,25,28)

synonyms
  • N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide
  • Oprea1_756489
  • ND13
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Properties
Property Value
MW 431.4 g/mol
HBD 1
HBA 6
Rotatable Bond Count 4
Exact Mass 431.14812078 g/mol
Monoisotopic Mass 431.14812078 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 685
xlogp 5.2
Topological Polar Surface Area 110