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870554-67-9 | 5Z-[(5-bromo-2-methoxyphenyl)methylene]-3-[(4-methylphenyl)methyl]-2,4-thiazolidinedione
CAS No: 870554-67-9 Catalog No: AG01EOZR MDL No:
Product Description
Catalog Number:
AG01EOZR
Chemical Name:
5Z-[(5-bromo-2-methoxyphenyl)methylene]-3-[(4-methylphenyl)methyl]-2,4-thiazolidinedione
CAS Number:
870554-67-9
Molecular Formula:
C19H16BrNO3S
Molecular Weight:
418.3042
IUPAC Name:
(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C19H16BrNO3S/c1-12-3-5-13(6-4-12)11-21-18(22)17(25-19(21)23)10-14-9-15(20)7-8-16(14)24-2/h3-10H,11H2,1-2H3/b17-10-
InChI Key:
AMLZLORVKZAHOH-YVLHZVERSA-N
SMILES:
COc1ccc(cc1/C=C/1\SC(=O)N(C1=O)Cc1ccc(cc1)C)Br
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
417.003g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.305g/mol
Monoisotopic Mass:
417.003g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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