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885459-82-5 | 2-cyano-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CAS No: 885459-82-5 Catalog No: AG019ISO MDL No:MFCD06660688
Product Description
Catalog Number:
AG019ISO
Chemical Name:
2-cyano-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CAS Number:
885459-82-5
Molecular Formula:
C14H13N3O3S
Molecular Weight:
303.3363
MDL Number:
MFCD06660688
IUPAC Name:
2-cyano-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C14H13N3O3S/c1-19-9-3-4-10(12(7-9)20-2)11-8-21-14(16-11)17-13(18)5-6-15/h3-4,7-8H,5H2,1-2H3,(H,16,17,18)
InChI Key:
RJZKXDSMRGEGCN-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1scc(n1)c1ccc(cc1OC)OC
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.336g/mol
Monoisotopic Mass:
303.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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