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919290-36-1 | Butanamide, 3-oxo-N-phenyl-2-(2-thiazolidinylidene)-, (2Z)-
CAS No: 919290-36-1 Catalog No: AG0067D7 MDL No:
Product Description
Catalog Number:
AG0067D7
Chemical Name:
Butanamide, 3-oxo-N-phenyl-2-(2-thiazolidinylidene)-, (2Z)-
CAS Number:
919290-36-1
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
IUPAC Name:
2-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-N-phenylbut-2-enamide
InChI:
InChI=1S/C13H14N2O2S/c1-9(16)11(13-14-7-8-18-13)12(17)15-10-5-3-2-4-6-10/h2-6,16H,7-8H2,1H3,(H,15,17)
InChI Key:
FJHRZLJZRWVPSB-UHFFFAOYSA-N
SMILES:
O=C(/C(=C\1/NCCS1)/C(=O)C)Nc1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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