Free Chemical Databases
-
[Synonyms]
NSC32435
[Structure]
[ Properties Computed from Structure]
Molecular Weight 385.66878 [g/mol] Molecular Formula C27H47N XLogP 9.2 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 17 Exact Mass 385.370851 MonoIsotopic Mass 385.370851 Topological Polar Surface Area 3.2 Heavy Atom Count 28 Formal Charge 0 Complexity 339 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: 2-octadecyl-3,4-dihydro-1H-isoquinoline
Canonical SMILES: CCCCCCCCCCCCCCCCCCN1CCC2=CC=CC=C2C1
InChI: InChI=1/C27H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-28-24-22-
26-20-17-18-21-27(26)25-28/h17-18,20-21H,2-16,19,22-25H2,1H3
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