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104245-09-2 | (2Z)-N-hydroxy-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[2-(3H-imidazol-4-yl)ethyl]thiazolidine-4-carboxamide
CAS No: 104245-09-2 Catalog No: AG007YDL MDL No:
Product Description
Catalog Number:
AG007YDL
Chemical Name:
(2Z)-N-hydroxy-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[2-(3H-imidazol-4-yl)ethyl]thiazolidine-4-carboxamide
CAS Number:
104245-09-2
Molecular Formula:
C15H16N4O4S
Molecular Weight:
348.3769
IUPAC Name:
2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C15H16N4O4S/c20-12-3-1-2-10(13(12)21)14-18-11(7-24-14)15(22)19(23)5-4-9-6-16-8-17-9/h1-3,6,8,11,20-21,23H,4-5,7H2,(H,16,17)
InChI Key:
GBKVAPJMXMGXJK-UHFFFAOYSA-N
SMILES:
ON(C(=O)C1CS/C(=C\2/C=CC=C(C2=O)O)/N1)CCc1cnc[nH]1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
348.377g/mol
Monoisotopic Mass:
348.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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