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89721-80-2 | Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-diethyl-
CAS No: 89721-80-2 Catalog No: AG0042G3 MDL No:
Product Description
Catalog Number:
AG0042G3
Chemical Name:
Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-diethyl-
CAS Number:
89721-80-2
Molecular Formula:
C18H19N3O2S
Molecular Weight:
341.4274
IUPAC Name:
3-[4-(1,2-benzothiazol-5-yloxy)phenyl]-1,1-diethylurea
InChI:
InChI=1S/C18H19N3O2S/c1-3-21(4-2)18(22)20-14-5-7-15(8-6-14)23-16-9-10-17-13(11-16)12-19-24-17/h5-12H,3-4H2,1-2H3,(H,20,22)
InChI Key:
GGKIBJNANHNMJH-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Nc1ccc(cc1)Oc1ccc2c(c1)cns2)CC
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.12g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.429g/mol
Monoisotopic Mass:
341.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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