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89405-39-0 | Phenol, 2-methoxy-4-[[[4-(1-naphthalenyl)-2-thiazolyl]imino]methyl]-
CAS No: 89405-39-0 Catalog No: AG003VWV MDL No:
Product Description
Catalog Number:
AG003VWV
Chemical Name:
Phenol, 2-methoxy-4-[[[4-(1-naphthalenyl)-2-thiazolyl]imino]methyl]-
CAS Number:
89405-39-0
Molecular Formula:
C21H16N2O2S
Molecular Weight:
360.4289
IUPAC Name:
2-methoxy-4-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)iminomethyl]phenol
InChI:
InChI=1S/C21H16N2O2S/c1-25-20-11-14(9-10-19(20)24)12-22-21-23-18(13-26-21)17-8-4-6-15-5-2-3-7-16(15)17/h2-13,24H,1H3
InChI Key:
TURGBLFFMILDMF-UHFFFAOYSA-N
SMILES:
COc1cc(C=Nc2scc(n2)c2cccc3c2cccc3)ccc1O
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.093g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.431g/mol
Monoisotopic Mass:
360.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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