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Home > Thiazole > 1105194-52-2
1105194-52-2 | 4,7-Dimethoxy-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 1105194-52-2 Catalog No: AG01ARLU MDL No:MFCD11986735
Product Description
Catalog Number:
AG01ARLU
Chemical Name:
4,7-Dimethoxy-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
1105194-52-2
Molecular Formula:
C13H17N3O2S
Molecular Weight:
279.3580
MDL Number:
MFCD11986735
IUPAC Name:
4,7-dimethoxy-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C13H17N3O2S/c1-17-9-3-4-10(18-2)12-11(9)15-13(19-12)16-7-5-14-6-8-16/h3-4,14H,5-8H2,1-2H3
InChI Key:
BNDVLYVPFAUTOT-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1sc(n2)N1CCNCC1)OC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.358g/mol
Monoisotopic Mass:
279.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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