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104742-64-5 | Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]-
CAS No: 104742-64-5 Catalog No: AG007GN4 MDL No:
Product Description
Catalog Number:
AG007GN4
Chemical Name:
Acetamide, N-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]phenyl]-
CAS Number:
104742-64-5
Molecular Formula:
C12H10N2O3S
Molecular Weight:
262.2844
IUPAC Name:
N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
InChI:
InChI=1S/C12H10N2O3S/c1-7(15)13-9-4-2-8(3-5-9)6-10-11(16)14-12(17)18-10/h2-6H,1H3,(H,13,15)(H,14,16,17)
InChI Key:
MDVDGMUCUQUBHY-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C=C1SC(=O)NC1=O
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.283g/mol
Monoisotopic Mass:
262.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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