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89570-46-7 | Urea, N'-[4-[(6-fluoro-2-benzothiazolyl)oxy]phenyl]-N,N-dimethyl-
CAS No: 89570-46-7 Catalog No: AG003Z9J MDL No:
Product Description
Catalog Number:
AG003Z9J
Chemical Name:
Urea, N'-[4-[(6-fluoro-2-benzothiazolyl)oxy]phenyl]-N,N-dimethyl-
CAS Number:
89570-46-7
Molecular Formula:
C16H14FN3O2S
Molecular Weight:
331.3647
IUPAC Name:
3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1,1-dimethylurea
InChI:
InChI=1S/C16H14FN3O2S/c1-20(2)15(21)18-11-4-6-12(7-5-11)22-16-19-13-8-3-10(17)9-14(13)23-16/h3-9H,1-2H3,(H,18,21)
InChI Key:
VLWPGKMWWLVILN-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)sc(n2)Oc1ccc(cc1)NC(=O)N(C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.365g/mol
Monoisotopic Mass:
331.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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