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37016-01-6 | 6-methoxy-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 37016-01-6 Catalog No: AG018GEE MDL No:MFCD10008532
Product Description
Catalog Number:
AG018GEE
Chemical Name:
6-methoxy-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
37016-01-6
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
MDL Number:
MFCD10008532
IUPAC Name:
6-methoxy-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H15N3OS/c1-16-9-2-3-10-11(8-9)17-12(14-10)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChI Key:
KZRIGTDFSPUENO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)N1CCNCC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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