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89721-77-7 | Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-dimethoxy-
CAS No: 89721-77-7 Catalog No: AG008810 MDL No:
Product Description
Catalog Number:
AG008810
Chemical Name:
Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-dimethoxy-
CAS Number:
89721-77-7
Molecular Formula:
C16H15N3O4S
Molecular Weight:
345.3730
IUPAC Name:
3-[4-(1,2-benzothiazol-5-yloxy)phenyl]-1,1-dimethoxyurea
InChI:
InChI=1S/C16H15N3O4S/c1-21-19(22-2)16(20)18-12-3-5-13(6-4-12)23-14-7-8-15-11(9-14)10-17-24-15/h3-10H,1-2H3,(H,18,20)
InChI Key:
QKORVJJRFNITHM-UHFFFAOYSA-N
SMILES:
CON(C(=O)Nc1ccc(cc1)Oc1ccc2c(c1)cns2)OC
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.373g/mol
Monoisotopic Mass:
345.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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