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104121-57-5 | Urea,N-ethyl-N'-(3-methoxy-1,2-benzisothiazol-5-yl)-
CAS No: 104121-57-5 Catalog No: AG007WJ6 MDL No:
Product Description
Catalog Number:
AG007WJ6
Chemical Name:
Urea,N-ethyl-N'-(3-methoxy-1,2-benzisothiazol-5-yl)-
CAS Number:
104121-57-5
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
IUPAC Name:
1-ethyl-3-(3-methoxy-1,2-benzothiazol-5-yl)urea
InChI:
InChI=1S/C11H13N3O2S/c1-3-12-11(15)13-7-4-5-9-8(6-7)10(16-2)14-17-9/h4-6H,3H2,1-2H3,(H2,12,13,15)
InChI Key:
NQJNGPJKFOULKM-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1ccc2c(c1)c(OC)ns2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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