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89570-43-4 | Urea, N'-[4-(2-benzothiazolyloxy)phenyl]-N-methoxy-N-methyl-
CAS No: 89570-43-4 Catalog No: AG003XXN MDL No:
Product Description
Catalog Number:
AG003XXN
Chemical Name:
Urea, N'-[4-(2-benzothiazolyloxy)phenyl]-N-methoxy-N-methyl-
CAS Number:
89570-43-4
Molecular Formula:
C16H15N3O3S
Molecular Weight:
329.3736
IUPAC Name:
3-[4-(1,3-benzothiazol-2-yloxy)phenyl]-1-methoxy-1-methylurea
InChI:
InChI=1S/C16H15N3O3S/c1-19(21-2)15(20)17-11-7-9-12(10-8-11)22-16-18-13-5-3-4-6-14(13)23-16/h3-10H,1-2H3,(H,17,20)
InChI Key:
VLNHDNGEQCDQBD-UHFFFAOYSA-N
SMILES:
CON(C(=O)Nc1ccc(cc1)Oc1nc2c(s1)cccc2)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.374g/mol
Monoisotopic Mass:
329.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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