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104121-69-9 | Urea,N-methoxy-N'-(3-methoxy-1,2-benzisothiazol-7-yl)-N-methyl-
CAS No: 104121-69-9 Catalog No: AG0084WL MDL No:
Product Description
Catalog Number:
AG0084WL
Chemical Name:
Urea,N-methoxy-N'-(3-methoxy-1,2-benzisothiazol-7-yl)-N-methyl-
CAS Number:
104121-69-9
Molecular Formula:
C11H13N3O3S
Molecular Weight:
267.3042
IUPAC Name:
1-methoxy-3-(3-methoxy-1,2-benzothiazol-7-yl)-1-methylurea
InChI:
InChI=1S/C11H13N3O3S/c1-14(17-3)11(15)12-8-6-4-5-7-9(8)18-13-10(7)16-2/h4-6H,1-3H3,(H,12,15)
InChI Key:
DATWZEUGZBVFPP-UHFFFAOYSA-N
SMILES:
CON(C(=O)Nc1cccc2c1snc2OC)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.303g/mol
Monoisotopic Mass:
267.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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