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346448-88-2 | 1-[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)piperazin-1-yl]propan-2-ol
CAS No: 346448-88-2 Catalog No: AG00JCU1 MDL No:MFCD01579587
Product Description
Catalog Number:
AG00JCU1
Chemical Name:
1-[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)piperazin-1-yl]propan-2-ol
CAS Number:
346448-88-2
Molecular Formula:
C14H19N3O3S
Molecular Weight:
309.3840
MDL Number:
MFCD01579587
IUPAC Name:
1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]propan-2-ol
InChI:
InChI=1S/C14H19N3O3S/c1-11(18)10-16-6-8-17(9-7-16)14-12-4-2-3-5-13(12)21(19,20)15-14/h2-5,11,18H,6-10H2,1H3
InChI Key:
IWZVKZFFBXLUEA-UHFFFAOYSA-N
SMILES:
CC(CN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2)O
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.384g/mol
Monoisotopic Mass:
309.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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