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89402-87-9 | 5-Thiazoleacetic acid, 2-[(6-methoxy-2-benzothiazolyl)amino]-4-phenyl-
CAS No: 89402-87-9 Catalog No: AG004NE1 MDL No:
Product Description
Catalog Number:
AG004NE1
Chemical Name:
5-Thiazoleacetic acid, 2-[(6-methoxy-2-benzothiazolyl)amino]-4-phenyl-
CAS Number:
89402-87-9
Molecular Formula:
C19H15N3O3S2
Molecular Weight:
397.4707
IUPAC Name:
2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]acetic acid
InChI:
InChI=1S/C19H15N3O3S2/c1-25-12-7-8-13-14(9-12)26-18(20-13)22-19-21-17(11-5-3-2-4-6-11)15(27-19)10-16(23)24/h2-9H,10H2,1H3,(H,23,24)(H,20,21,22)
InChI Key:
UOCKSCFNFJDQHN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)Nc1nc(c(s1)CC(=O)O)c1ccccc1
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.055g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.467g/mol
Monoisotopic Mass:
397.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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