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510737-47-0 | 1-[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)piperazin-1-yl]-3-methoxypropan-2-ol hydrochloride
CAS No: 510737-47-0 Catalog No: AG00JGFS MDL No:MFCD03699197
Product Description
Catalog Number:
AG00JGFS
Chemical Name:
1-[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)piperazin-1-yl]-3-methoxypropan-2-ol hydrochloride
CAS Number:
510737-47-0
Molecular Formula:
C15H21N3O4S
Molecular Weight:
339.4099
MDL Number:
MFCD03699197
IUPAC Name:
1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methoxypropan-2-ol;hydrochloride
InChI:
InChI=1S/C15H21N3O4S.ClH/c1-22-11-12(19)10-17-6-8-18(9-7-17)15-13-4-2-3-5-14(13)23(20,21)16-15;/h2-5,12,19H,6-11H2,1H3;1H
InChI Key:
VVQINAPGQIOSGD-UHFFFAOYSA-N
SMILES:
COCC(CN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2)O
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.868g/mol
Monoisotopic Mass:
375.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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