Free Chemical Databases
-
[Synonyms]
NSC45877
[Structure]
[ Properties Computed from Structure]
Molecular Weight 266.34092 [g/mol] Molecular Formula C16H18N4 XLogP 1.6 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 5 Tautomer Count 3 Exact Mass 266.153147 MonoIsotopic Mass 266.153147 Topological Polar Surface Area 76.8 Heavy Atom Count 20 Formal Charge 0 Complexity 302 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
[ Descriptors Computed from Structure]
IUPAC Name: N1',N2'-bis(phenylmethyl)ethanediimidamide
Canonical SMILES: C1=CC=C(C=C1)CN=C(C(=NCC2=CC=CC=C2)N)N
InChI: InChI=1/C16H18N4/c17-15(19-11-13-7-3-1-4-8-13)16(18)20-12-14-9-5-2-6-10-
14/h1-10H,11-12H2,(H2,17,19)(H2,18,20)/f/h17-18H2/b19-15-,20-16-
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