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89405-35-6 | Phenol, 2-methoxy-4-[[[4-(4-methylphenyl)-2-thiazolyl]imino]methyl]-
CAS No: 89405-35-6 Catalog No: AG003VWW MDL No:
Product Description
Catalog Number:
AG003VWW
Chemical Name:
Phenol, 2-methoxy-4-[[[4-(4-methylphenyl)-2-thiazolyl]imino]methyl]-
CAS Number:
89405-35-6
Molecular Formula:
C18H16N2O2S
Molecular Weight:
324.3968
IUPAC Name:
2-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
InChI:
InChI=1S/C18H16N2O2S/c1-12-3-6-14(7-4-12)15-11-23-18(20-15)19-10-13-5-8-16(21)17(9-13)22-2/h3-11,21H,1-2H3
InChI Key:
OATQCMMSBCUWKK-UHFFFAOYSA-N
SMILES:
COc1cc(C=Nc2scc(n2)c2ccc(cc2)C)ccc1O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.398g/mol
Monoisotopic Mass:
324.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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