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89402-81-3 | 5-Thiazoleacetic acid, 2-[(6-fluoro-2-benzothiazolyl)amino]-4-phenyl-
CAS No: 89402-81-3 Catalog No: AG003VYM MDL No:
Product Description
Catalog Number:
AG003VYM
Chemical Name:
5-Thiazoleacetic acid, 2-[(6-fluoro-2-benzothiazolyl)amino]-4-phenyl-
CAS Number:
89402-81-3
Molecular Formula:
C18H12FN3O2S2
Molecular Weight:
385.4352
IUPAC Name:
2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]acetic acid
InChI:
InChI=1S/C18H12FN3O2S2/c19-11-6-7-12-13(8-11)25-17(20-12)22-18-21-16(10-4-2-1-3-5-10)14(26-18)9-15(23)24/h1-8H,9H2,(H,23,24)(H,20,21,22)
InChI Key:
FCAOGUNOHQSCHB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1sc(nc1c1ccccc1)Nc1nc2c(s1)cc(cc2)F
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.035g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.431g/mol
Monoisotopic Mass:
385.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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