Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 448.35344 [g/mol] Molecular Formula C21H26BrN3O3 XLogP 5 H-Bond Donor 1 H-Bond Acceptor 5 Rotatable Bond Count 10 Tautomer Count 2 Exact Mass 447.115754 MonoIsotopic Mass 447.115754 Topological Polar Surface Area 63.2 Heavy Atom Count 28 Formal Charge 0 Complexity 480 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: 2-[4-bromo-2-(diethylaminomethyl)phenoxy]-N-[(4-methoxyphenyl)
methylideneamino]acetamide
Canonical SMILES: CCN(CC)CC1=C(C=CC(=C1)Br)OCC(=O)NN=CC2=CC=C(C=C2)OC
InChI: InChI=1/C21H26BrN3O3/c1-4-25(5-2)14-17-12-18(22)8-11-20(17)28-15-21(26)
24-23-13-16-6-9-19(27-3)10-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,24,
26)/f/h24H
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