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421570-23-2 | 2-[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)piperazin-1-yl]ethanol
CAS No: 421570-23-2 Catalog No: AG00C5U4 MDL No:MFCD02736507
Product Description
Catalog Number:
AG00C5U4
Chemical Name:
2-[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)piperazin-1-yl]ethanol
CAS Number:
421570-23-2
Molecular Formula:
C13H17N3O3S
Molecular Weight:
295.3574
MDL Number:
MFCD02736507
IUPAC Name:
2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethanol
InChI:
InChI=1S/C13H17N3O3S/c17-10-9-15-5-7-16(8-6-15)13-11-3-1-2-4-12(11)20(18,19)14-13/h1-4,17H,5-10H2
InChI Key:
POOAXYKZAFOTMJ-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.357g/mol
Monoisotopic Mass:
295.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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