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89721-78-8 | Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-dipropyl-
CAS No: 89721-78-8 Catalog No: AG0042G4 MDL No:
Product Description
Catalog Number:
AG0042G4
Chemical Name:
Urea, N'-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N,N-dipropyl-
CAS Number:
89721-78-8
Molecular Formula:
C20H23N3O2S
Molecular Weight:
369.4805
IUPAC Name:
3-[4-(1,2-benzothiazol-5-yloxy)phenyl]-1,1-dipropylurea
InChI:
InChI=1S/C20H23N3O2S/c1-3-11-23(12-4-2)20(24)22-16-5-7-17(8-6-16)25-18-9-10-19-15(13-18)14-21-26-19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,24)
InChI Key:
KVPRGYZLMXMUQH-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)Nc1ccc(cc1)Oc1ccc2c(c1)cns2)CCC
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.151g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.483g/mol
Monoisotopic Mass:
369.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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