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89721-83-5 | Urea, N-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N'-butyl-
CAS No: 89721-83-5 Catalog No: AG0042AP MDL No:
Product Description
Catalog Number:
AG0042AP
Chemical Name:
Urea, N-[4-(1,2-benzisothiazol-5-yloxy)phenyl]-N'-butyl-
CAS Number:
89721-83-5
Molecular Formula:
C18H19N3O2S
Molecular Weight:
341.4274
IUPAC Name:
1-[4-(1,2-benzothiazol-5-yloxy)phenyl]-3-butylurea
InChI:
InChI=1S/C18H19N3O2S/c1-2-3-10-19-18(22)21-14-4-6-15(7-5-14)23-16-8-9-17-13(11-16)12-20-24-17/h4-9,11-12H,2-3,10H2,1H3,(H2,19,21,22)
InChI Key:
QSSOOOXIIDXXOX-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)Nc1ccc(cc1)Oc1ccc2c(c1)cns2
Properties
Complexity:
402
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:
2
Isotope Atom Count:
0
Molecular Weight:
341.429g/mol
Monoisotopic Mass:
341.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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