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89403-01-0 | 5-Thiazoleacetic acid, 2-[[4-(carboxymethyl)phenyl]amino]-4-phenyl-
CAS No: 89403-01-0 Catalog No: AG003VXA MDL No:
Product Description
Catalog Number:
AG003VXA
Chemical Name:
5-Thiazoleacetic acid, 2-[[4-(carboxymethyl)phenyl]amino]-4-phenyl-
CAS Number:
89403-01-0
Molecular Formula:
C19H16N2O4S
Molecular Weight:
368.4063
IUPAC Name:
2-[4-[[5-(carboxymethyl)-4-phenyl-1,3-thiazol-2-yl]amino]phenyl]acetic acid
InChI:
InChI=1S/C19H16N2O4S/c22-16(23)10-12-6-8-14(9-7-12)20-19-21-18(13-4-2-1-3-5-13)15(26-19)11-17(24)25/h1-9H,10-11H2,(H,20,21)(H,22,23)(H,24,25)
InChI Key:
QTJQRHWTUDOEDL-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1sc(nc1c1ccccc1)Nc1ccc(cc1)CC(=O)O
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
368.407g/mol
Monoisotopic Mass:
368.083g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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