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100795-92-4 | 2,4-Thiazolidinedione, 3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylene]-
CAS No: 100795-92-4 Catalog No: AG0002W7 MDL No:MFCD01830171
Product Description
Catalog Number:
AG0002W7
Chemical Name:
2,4-Thiazolidinedione, 3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylene]-
CAS Number:
100795-92-4
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
MDL Number:
MFCD01830171
IUPAC Name:
(5E)-3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
InChI:
InChI=1S/C13H14N2O3S.ClH/c1-18-10-4-2-9(3-5-10)8-11-12(16)15(7-6-14)13(17)19-11;/h2-5,8H,6-7,14H2,1H3;1H/b11-8+;
InChI Key:
LEDGHOKSFJGTLU-YGCVIUNWSA-N
SMILES:
NCCN1C(=O)SC(=Cc2ccc(cc2)OC)C1=O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
314.049g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.784g/mol
Monoisotopic Mass:
314.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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