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118856-18-1 | 8-((3-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)propyl)oxy)-8-azaspiro(4.5)decane-7,9-dione
CAS No: 118856-18-1 Catalog No: AG009KBI MDL No:
Product Description
Catalog Number:
AG009KBI
Chemical Name:
8-((3-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)propyl)oxy)-8-azaspiro(4.5)decane-7,9-dione
CAS Number:
118856-18-1
IUPAC Name:
8-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C23H30N4O3S/c28-20-16-23(8-3-4-9-23)17-21(29)27(20)30-15-5-10-25-11-13-26(14-12-25)22-18-6-1-2-7-19(18)31-24-22/h1-2,6-7H,3-5,8-17H2
InChI Key:
RJSZSZMMKYSISN-UHFFFAOYSA-N
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.204g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.578g/mol
Monoisotopic Mass:
442.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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