Democonazole

CAS No.:70161-09-0
Synonyms:
Democonazole [INN]
Democonazol [INN-Spanish]
Democonazolum [INN-Latin]
(E)-1-(2,4-Dichloro-beta-(2-(p-chlorophenoxy)ethoxy)styryl)imidazole
Properties Computed from Structure:
Molecular Weight 409.6936 [g/mol] 
Molecular Formula C19H15Cl3N2O2 
XLogP 6.2 
H-Bond Donor 0 
H-Bond Acceptor 4 
Rotatable Bond Count 7 
Exact Mass 408.019911 
MonoIsotopic Mass 408.019911 
Topological Polar Surface Area 36.3 
Heavy Atom Count 26 
Formal Charge 0 
Complexity 458 
Isotope Atom Count 0 
Defined Atom StereoCenter Count 0 
Undefined Atom StereoCenter Count 0 
Defined Bond StereoCenter Count 1 
Undefined Bond StereoCenter Count 0 
Covalently-Bonded Unit Count 1 
Descriptors Computed from Structure:
IUPAC Name: 1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,
4-dichlorophenyl)ethenyl]imidazole
Canonical SMILES: C1=CC(=CC=C1OCCOC(=CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
Isomeric SMILES: C1=CC(=CC=C1OCCO/C(=C/N2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl)Cl
InChI: InChI=1/C19H15Cl3N2O2/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-
13-24)17-6-3-15(21)11-18(17)22/h1-8,11-13H,9-10H2/b19-12+