Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 490.55904 [g/mol] Molecular Formula C28H26N8O XLogP 7.1 H-Bond Donor 4 H-Bond Acceptor 9 Rotatable Bond Count 8 Tautomer Count 3 Exact Mass 490.222957 MonoIsotopic Mass 490.222957 Topological Polar Surface Area 163 Heavy Atom Count 37 Formal Charge 0 Complexity 749 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: 2-[[[4-[4-[N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenoxy]
phenyl]-phenylmethylidene]amino]guanidine
Canonical SMILES: C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=NN=C(N)N)C4=CC=
CC=C4
InChI: InChI=1/C28H26N8O/c29-27(30)35-33-25(19-7-3-1-4-8-19)21-11-15-23(16-12-
21)37-24-17-13-22(14-18-24)26(34-36-28(31)32)20-9-5-2-6-10-20/h1-18H,
(H4,29,30,35)(H4,31,32,36)/f/h29-32H2
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