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89721-76-6 | Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-dimethyl-
CAS No: 89721-76-6 Catalog No: AG008811 MDL No:
Product Description
Catalog Number:
AG008811
Chemical Name:
Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-dimethyl-
CAS Number:
89721-76-6
Molecular Formula:
C16H15N3O2S
Molecular Weight:
313.3742
IUPAC Name:
3-[4-(1,2-benzothiazol-5-yloxy)phenyl]-1,1-dimethylurea
InChI:
InChI=1S/C16H15N3O2S/c1-19(2)16(20)18-12-3-5-13(6-4-12)21-14-7-8-15-11(9-14)10-17-22-15/h3-10H,1-2H3,(H,18,20)
InChI Key:
STJDIFBJSNDWPB-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Nc1ccc(cc1)Oc1ccc2c(c1)cns2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.375g/mol
Monoisotopic Mass:
313.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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