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1351612-82-2,MFCD16653417
Catalog No.:AA01AQCE
1351612-82-2 | 5-(1,3-BENZODIOXOL-5-YL)-2-PIPERAZIN-1-YL-6H-1,3,4-THIADIAZINE DIHYDROCHL+
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Technical Information
Catalog Number:
AA01AQCE
Chemical Name:
5-(1,3-BENZODIOXOL-5-YL)-2-PIPERAZIN-1-YL-6H-1,3,4-THIADIAZINE DIHYDROCHL+
CAS Number:
1351612-82-2
Molecular Formula:
C14H18Cl2N4O2S
Molecular Weight:
377.2893
MDL Number:
MFCD16653417
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine;dihydrochloride
InChI:
InChI=1S/C14H16N4O2S.2ClH/c1-2-12-13(20-9-19-12)7-10(1)11-8-21-14(17-16-11)18-5-3-15-4-6-18;;/h1-2,7,15H,3-6,8-9H2;2*1H
InChI Key:
AIRLCUHRPSOHIV-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)C1=NN=C(CS1)c1ccc2c(c1)OCO2.Cl.Cl
Properties
Computed Properties
 
Complexity:
450  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.053g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
377.284g/mol
Monoisotopic Mass:
376.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
5-(1,3-benzodioxol-5-yl)-2-piperazin-1-yl-6H-1,3,4-thiadiazine dihydrochloride 
1351612-82-2 
AKOS026677195 
MCULE-5857928821 
L-5125 
F2190-0684 
1203284-65-4 
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