Free Chemical Databases
-
[Synonyms]
NSC49492
[Structure]
[ Properties Computed from Structure]
Molecular Weight 506.63796 [g/mol] Molecular Formula C32H34N4O2 XLogP 9.5 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 13 Tautomer Count 3 Exact Mass 506.268176 MonoIsotopic Mass 506.268176 Topological Polar Surface Area 82.9 Heavy Atom Count 38 Formal Charge 0 Complexity 717 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 2 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N,N'-bis(naphthalen-1-ylmethylideneamino)decanediamide
Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)CCCCCCCCC(=O)NN=CC3=CC=CC4=CC=CC=C43
InChI: InChI=1/C32H34N4O2/c37-31(35-33-23-27-17-11-15-25-13-7-9-19-29(25)27)21-
5-3-1-2-4-6-22-32(38)36-34-24-28-18-12-16-26-14-8-10-20-30(26)28/h7-20,
23-24H,1-6,21-22H2,(H,35,37)(H,36,38)/f/h35-36H
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