Home Other Building Blocks 3-[(piperazin-1-yl)methyl]-4H-1lambda6,2,4-benzothiadiazine-1,1-dione dihydrochloride

3-[(piperazin-1-yl)methyl]-4H-1lambda6,2,4-benzothiadiazine-1,1-dione dihydrochloride

CAS No.:
2039550-64-4
Catalog Number:
AG01ELJQ
Molecular Formula:
C12H18Cl2N4O2S
Molecular Weight:
353.2679
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Product Description
Catalog Number:
AG01ELJQ
Chemical Name:
3-[(piperazin-1-yl)methyl]-4H-1lambda6,2,4-benzothiadiazine-1,1-dione dihydrochloride
CAS Number:
2039550-64-4
Molecular Formula:
C12H18Cl2N4O2S
Molecular Weight:
353.2679
MDL Number:
MFCD31606751
IUPAC Name:
3-(piperazin-1-ylmethyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;dihydrochloride
InChI:
InChI=1S/C12H16N4O2S.2ClH/c17-19(18)11-4-2-1-3-10(11)14-12(15-19)9-16-7-5-13-6-8-16;;/h1-4,13H,5-9H2,(H,14,15);2*1H
InChI Key:
RONAWYPCKDNYIP-UHFFFAOYSA-N
SMILES:
O=S1(=O)N=C(CN2CCNCC2)Nc2c1cccc2.Cl.Cl
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.053g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
353.262g/mol
Monoisotopic Mass:
352.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties