Free Chemical Databases
-
[Synonyms]
NCI60_038801
[Structure]
[ Properties Computed from Structure]
Molecular Weight 356.50322 [g/mol] Molecular Formula C25H28N2 XLogP 6.4 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 5 Tautomer Count 3 Exact Mass 356.225249 MonoIsotopic Mass 356.225249 Topological Polar Surface Area 24.4 Heavy Atom Count 27 Formal Charge 0 Complexity 522 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-[1-(1-adamantyl)-3-phenyliminoprop-1-enyl]aniline
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C(=CC=NC4=CC=CC=C4)NC5=CC=CC=C5
InChI: InChI=1/C25H28N2/c1-3-7-22(8-4-1)26-12-11-24(27-23-9-5-2-6-10-23)25-16-
19-13-20(17-25)15-21(14-19)18-25/h1-12,19-21,27H,13-18H2/b24-11u,26-12+
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